SMIRKS
[H][C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([N:16]([H:30])[H:31])[C:17](=[O:18])[O:19][H:32]>>[H]OC(=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[N:16]([H:30])[H:31].O=[C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:32]
Derived Operators
EVODEX.1-F41 - Elemental Balance
| C | 6 |
| O | 3 |
| H | 10 |
EVODEX.1-M207 - Mass Difference
130.06300000000002
EVODEX.1-E517 - Reaction Operator E
[#6:19]-[#6@:20](-[#7:21](-[H:39])-[H:40])(-[#6:22]=[#8:23])-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:21](-[H:39])-[H:40])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:20](-[#6:19])-[#6:22]=[#8:23]
EVODEX.1-C432 - Reaction Operator C
[H]-[#6@@:15]-[#7:16]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:16].[#8]=[#6:15]
EVODEX.1-N524 - Reaction Operator N
[H]-[#6@@:15](-[#6:14])(-[#7:16](-[H:30])-[H:31])-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:16](-[H:30])-[H:31].[#8]=[#6:15](-[#6:14])-[#6:17]
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-R3751
[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:23])([H:24])[H:25])[H:26])([H:27])([H:28])[H:29].[H][C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([N:16]([H:30])[H:31])[C:17](=[O:18])[O:19][H:32]>>[H][C@:5]([C:4]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:20])([H:21])[H:22])[H:26])([H:24])[H:25])([C:7](=[O:8])[O:9][H:23])[N:16]([H:30])[H:31].[O:6]=[C:15]([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:32]