SMIRKS
[N:10]([C@@:11]([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])([C:16](=[O:17])[O:18][H:66])[H:67])([H:68])[H:69].[N:19]([C:20]1:[N:21]:[C:22]([H:70]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:71]):[N:28]:2[C@:29]1([H:72])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:73])[O:37][P:38](=[O:39])([O:40][H:74])[O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[H:78])([H:79])[C@:46]([O:47][H:80])([H:81])[C@:48]1([O:49][H:82])[H:83])([H:84])[H:85]>>[H]OC(=O)[C@@]([H])(N([H])[C:16]([C@@:11]([N:10]([H:68])[H:69])([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])[H:67])=[O:17])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:79])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:70]):[N:21]:[C:20]([N:19]([H:84])[H:85]):[C:25]:3:[N:26]:[C:27]:2[H:71])([H:72])[C@@:48]([O:49][H:82])([H:83])[C@@:46]1([O:47][H:80])[H:81])([H:77])[H:78])(=[O:35])[O:36][H:73])(=[O:39])[O:40][H:74])[H:66].[H][O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76]
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-R7758
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([C:4]([H:50])([H:51])[H:52])[H:57])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53].[N:10]([C@@:11]([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])([C:16](=[O:17])[O:18][H:66])[H:67])([H:68])[H:69].[N:19]([C:20]1:[N:21]:[C:22]([H:70]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:71]):[N:28]:2[C@:29]1([H:72])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:73])[O:37][P:38](=[O:39])([O:40][H:74])[O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[H:78])([H:79])[C@:46]([O:47][H:80])([H:81])[C@:48]1([O:49][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C@:3]([C:4]([H:50])([H:51])[H:52])([C@:5]([N:6]([C:16]([C@@:11]([N:10]([H:68])[H:69])([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])[H:67])=[O:17])[H:53])([C:7](=[O:8])[O:9][H:55])[H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:79])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:70]):[N:21]:[C:20]([N:19]([H:84])[H:85]):[C:25]:3:[N:26]:[C:27]:2[H:71])([H:72])[C@@:48]([O:49][H:82])([H:83])[C@@:46]1([O:47][H:80])[H:81])([H:77])[H:78])(=[O:35])[O:36][H:73])(=[O:39])[O:40][H:74])[H:66].[H][O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76]