SMIRKS
O=[C:9]([C:8]1:[C:5]([C:6]([O:7][H:24])([H:25])[H:26]):[C:4]([H:23]):[N:3]:[C:2]([C:1]([H:29])([H:30])[H:31]):[C:11]:1[O:12][H:28])[H:27].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:13]([H:39])[H:40]>>[H][C:9]([C:8]1:[C:5]([C:6]([O:7][H:24])([H:25])[H:26]):[C:4]([H:23]):[N:3]:[C:2]([C:1]([H:29])([H:30])[H:31]):[C:11]:1[O:12][H:28])([N:13]([H:39])[H:40])[H:27]
Derived Operators
EVODEX.1-F59 - Elemental Balance
| C | -5 |
| O | -5 |
| H | -6 |
EVODEX.1-M57 - Mass Difference
-146.02147999999997
EVODEX.1-E593 - Reaction Operator E
[#7:1](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:25])-[H:26].[#8]=[#6:12](-[#6:13])-[H:30]>>[#7:1](-[#6:12](-[#6:13])(-[H:30])-[H])(-[H:25])-[H:26]
EVODEX.1-C66 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:14]>>[H]-[#6@:14]-[#7:1]
EVODEX.1-N510 - Reaction Operator N
[#8]=[#6:9](-[#6:8])-[H:27].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:13](-[H:39])-[H:40]>>[H]-[#6:9](-[#6:8])(-[#7:13](-[H:39])-[H:40])-[H:27]
EVODEX.1-Em107 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
EVODEX.1-Nm139 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
Source Full Reactions
EVODEX.1-R3655
[C:1]([C:2]1:[N:3]:[C:4]([H:23]):[C:5]([C:6]([O:7][H:24])([H:25])[H:26]):[C:8]([C:9](=[O:10])[H:27]):[C:11]:1[O:12][H:28])([H:29])([H:30])[H:31].[H][C@:14]([N:13]([H:39])[H:40])([C:15]([C:16]([C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36])[C:20](=[O:21])[O:22][H:37]>>[H][C:9]([C:8]1:[C:5]([C:6]([O:7][H:24])([H:25])[H:26]):[C:4]([H:23]):[N:3]:[C:2]([C:1]([H:29])([H:30])[H:31]):[C:11]:1[O:12][H:28])([N:13]([H:39])[H:40])[H:27].[O:10]=[C:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36])[C:20](=[O:21])[O:22][H:37]