SMIRKS
[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28]>>[H]OC(=O)C(=O)[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([H:23])[H:24].[H][C:2]([N:1]([H:27])[H:28])([C:10](=[O:11])[O:12][H:25])[H:26]
Derived Operators
EVODEX.1-F235 - Elemental Balance
| O | 3 |
| C | 2 |
| H | 2 |
EVODEX.1-M294 - Mass Difference
74.00036
EVODEX.1-E957 - Reaction Operator E
[#6:5]-[#6:6](-[#6@:7](-[#7:8])(-[#6:9])-[H:20])(-[H:21])-[H:22]>>[#6:7](-[#7:8])(-[#6:9])(-[H:20])-[H].[#6:5]-[#6:6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H:21])-[H:22]
EVODEX.1-C439 - Reaction Operator C
[#6:7]-[#6@@:5]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:7].[H]-[#6:5]
EVODEX.1-N531 - Reaction Operator N
[#6:3]-[#6@@:5](-[#7:6])(-[#6:7](-[#6:8])(-[H:22])-[H:23])-[H:24]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:7](-[#6:8])(-[H:22])-[H:23].[H]-[#6:5](-[#6:3])(-[#7:6])-[H:24]
EVODEX.1-Em541 - Reaction Operator Em
[#6:3]-[#6:5](-[#7:6])-[#6:7]-[#6:8]>>[#6](=[#8])-[#6](=[#8])-[#6:7]-[#6:8].[H]-[#6:5](-[#6:3])-[#7:6]
EVODEX.1-Nm490 - Reaction Operator Nm
[#6:3]-[#6:5](-[#7:6])-[#6:7]-[#6:8]>>[#6]-[#6](=[#8])-[#6:7]-[#6:8].[H]-[#6:5](-[#6:3])-[#7:6]
Source Full Reactions
EVODEX.1-R3565
[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28].[H][C:14](=[O:13])[C:15](=[O:16])[O:17][H:29]>>[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]([H:21]):[C:9]:1[H:22])([C:14](=[O:13])[C:15](=[O:16])[O:17][H:29])([H:23])[H:24].[H][C:2]([N:1]([H:27])[H:28])([C:10](=[O:11])[O:12][H:25])[H:26]