SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C@:10]([C:11]([C:12]1:[C:13]([H:26]):[N:14]:[C:15]([H:27]):[N:16]:1[H:28])([H:29])[H:30])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H].[H][O:25][H:50]>>[C:8](=[O:9])([C@:10]([C:11]([C:12]1:[C:13]([H:26]):[N:14]:[C:15]([H:27]):[N:16]:1[H:28])([H:29])[H:30])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])[O:25][H:50]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1006 - Reaction Operator E
[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:19](-[H:38])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:38]
EVODEX.1-C577 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]>>[#6:12]-[#8:24]
EVODEX.1-N733 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]-[H:61]>>[#6:11]-[#6:12](=[#8:13])-[#8:24]-[H:61]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5722
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@:10]([C:11]([C:12]1:[C:13]([H:26]):[N:14]:[C:15]([H:27]):[N:16]:1[H:28])([H:29])[H:30])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])[H:37])([C:22](=[O:23])[O:24][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49].[H][O:25][H:50]>>[C:8](=[O:9])([C@:10]([C:11]([C:12]1:[C:13]([H:26]):[N:14]:[C:15]([H:27]):[N:16]:1[H:28])([H:29])[H:30])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:31])[H:32])([H:33])[H:34])[H:35])[H:36])[O:25][H:50].[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([C:22](=[O:23])[O:24][H:38])[H:39])[H:37]