SMIRKS
[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])[H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])([H:88])([H:89])[H:90].[N:30]([C:31]1:[N:32]:[C:33]([H:104]):[N:34]:[C:35]2:[C:36]:1:[N:37]:[C:38]([H:105]):[N:39]:2[C@:40]1([H:106])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:107])[O:48][P:49](=[O:50])([O:51][H:108])[O:52][P:53](=[O:54])([O:55][H:109])[O:56][H:110])([H:111])[H:112])([H:113])[C@:57]([O:58][H:114])([H:115])[C@:59]1([O:60][H:116])[H:117])([H:118])[H:119]>>[H]OC(=O)[C@@]([H])(N([H])[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:88])([H:89])[H:90])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])[H:81])[H:80])([H:78])[H:79])[H:77])[H:76])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])=[O:19])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:20]([P:45]([O:44][C:43]([C@@:42]1([H:113])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:104]):[N:32]:[C:31]([N:30]([H:118])[H:119]):[C:36]:3:[N:37]:[C:38]:2[H:105])([H:106])[C@@:59]([O:60][H:116])([H:117])[C@@:57]1([O:58][H:114])[H:115])([H:111])[H:112])(=[O:46])[O:47][H:107])[H:61].[H][O:48][P:49](=[O:50])([O:51][H:108])[O:52][P:53](=[O:54])([O:55][H:109])[O:56][H:110]
Derived Operators
EVODEX.1-F137 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 1 |
| H | 13 |
EVODEX.1-M67 - Mass Difference
131.09469
EVODEX.1-E787 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:109].([#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8:76]-[#15:77].[#8:82]-[#6@@:81](-[#6@@:66])(-[H:140])-[#6@:83](-[#6@:64])(-[#8:84])-[H:142])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:73](-[#8:72])(=[#8:74])-[#8:75])-[H:109].[#8:84]-[#6@:83](-[#6@:64])(-[H:142])-[#6@@:81](-[#6@@:66])(-[#8:82])-[H:140]).[#8:76](-[#15:77])-[H]
EVODEX.1-C832 - Reaction Operator C
[#6:18]-[#8:20].([#15:45]-[#8:48].[#6@:57]-[#6@:59])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].([#8:20]-[#15:45].[#6@@:59]-[#6@@:57]).[H]-[#8:48]
EVODEX.1-N1043 - Reaction Operator N
[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:61].([#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49].[#8:58]-[#6@@:57](-[#6@@:42])(-[H:115])-[#6@:59](-[#6@:40])(-[#8:60])-[H:117])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18](-[#6:17])=[#8:19])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].([#8:20](-[#15:45](-[#8:44])(=[#8:46])-[#8:47])-[H:61].[#8:60]-[#6@:59](-[#6@:40])(-[H:117])-[#6@@:57](-[#6@@:42])(-[#8:58])-[H:115]).[H]-[#8:48]-[#15:49]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7883
[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])[H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])([H:88])([H:89])[H:90].[H][N:26]([C@@:25]([C@:23]([C:22]([C:21]([H:101])([H:102])[H:103])([H:99])[H:100])([C:24]([H:91])([H:92])[H:93])[H:98])([C:27](=[O:28])[O:29][H:96])[H:97])[H:94].[N:30]([C:31]1:[N:32]:[C:33]([H:104]):[N:34]:[C:35]2:[C:36]:1:[N:37]:[C:38]([H:105]):[N:39]:2[C@:40]1([H:106])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:107])[O:48][P:49](=[O:50])([O:51][H:108])[O:52][P:53](=[O:54])([O:55][H:109])[O:56][H:110])([H:111])[H:112])([H:113])[C@:57]([O:58][H:114])([H:115])[C@:59]1([O:60][H:116])[H:117])([H:118])[H:119]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[N:26]([C@@:25]([C@:23]([C:22]([C:21]([H:101])([H:102])[H:103])([H:99])[H:100])([C:24]([H:91])([H:92])[H:93])[H:98])([C:27](=[O:28])[O:29][H:96])[H:97])[H:94])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])[H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])([H:88])([H:89])[H:90].[O:20]([P:45]([O:44][C:43]([C@@:42]1([H:113])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:104]):[N:32]:[C:31]([N:30]([H:118])[H:119]):[C:36]:3:[N:37]:[C:38]:2[H:105])([H:106])[C@@:59]([O:60][H:116])([H:117])[C@@:57]1([O:58][H:114])[H:115])([H:111])[H:112])(=[O:46])[O:47][H:107])[H:61].[H][O:48][P:49](=[O:50])([O:51][H:108])[O:52][P:53](=[O:54])([O:55][H:109])[O:56][H:110]