SMIRKS
[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66].[N:16]([C:17]1:[N:18]:[C:19]([H:67]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:68]):[N:25]:2[C@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:70])[O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73])([H:74])[H:75])([H:76])[C@:43]([O:44][H:77])([H:78])[C@:45]1([O:46][H:79])[H:80])([H:81])[H:82]>>[H]OC(=O)[C@@]([H])(N([H])[C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:60].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]
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-R7769
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([C:4]([H:47])([H:48])[H:49])[H:54])([C:7](=[O:8])[O:9][H:52])[H:53])[H:50].[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66].[N:16]([C:17]1:[N:18]:[C:19]([H:67]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:68]):[N:25]:2[C@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:70])[O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73])([H:74])[H:75])([H:76])[C@:43]([O:44][H:77])([H:78])[C@:45]1([O:46][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C@:3]([C:4]([H:47])([H:48])[H:49])([C@:5]([N:6]([C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[H:50])([C:7](=[O:8])[O:9][H:52])[H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:60].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]