SMIRKS
[H][C@:12]([N:11]([H:36])[H:37])([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34]>>[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])C(=O)N([H])[H])[N:11]([H:36])[H:37].O=[C:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34]
Derived Operators
EVODEX.1-F243 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 7 |
EVODEX.1-M300 - Mass Difference
145.03751
EVODEX.1-E967 - Reaction Operator E
[#6:4]-[#6:5](-[#7:6](-[H:23])-[H:24])(-[#6:7]=[#8:8])-[H]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])=[#8].[#7:6](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:23])-[H:24]
EVODEX.1-C441 - Reaction Operator C
[H]-[#6@:12]-[#7:11]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:11].[#8]=[#6:12]
EVODEX.1-N534 - Reaction Operator N
[H]-[#6@:12](-[#7:11](-[H:36])-[H:37])(-[#6:13])-[#6:23]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:11](-[H:36])-[H:37].[#8]=[#6:12](-[#6:13])-[#6:23]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3800
[H][C@:12]([N:11]([H:36])[H:37])([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44]>>[H][C@:6]([C:5]([C:4]([C:2]([N:1]([H:43])[H:44])=[O:3])([H:41])[H:42])([H:39])[H:40])([C:8](=[O:9])[O:10][H:38])[N:11]([H:36])[H:37].[O:7]=[C:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])[C:23](=[O:24])[O:25][H:34]