SMIRKS
[H][C@:2]([N:1]([H:31])[H:32])([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])([H:27])[H:28])[C:10](=[O:11])[O:12][H:29]>>O=[C:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])([H:27])[H:28])[C:10](=[O:11])[O:12][H:29].[H]OC(=O)C([H])([H])C([H])([H])C(=O)C([H])([H])[N:1]([H:31])[H:32]
Derived Operators
EVODEX.1-F240 - Elemental Balance
| O | 4 |
| C | 5 |
| H | 6 |
EVODEX.1-M297 - Mass Difference
130.02658
EVODEX.1-E964 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3])(-[#6:10]=[#8:11])-[H])(-[H:31])-[H:32]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8].[#7:1](-[#6](-[#6](=[#8])-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:31])-[H:32]
EVODEX.1-C462 - Reaction Operator C
[H]-[#6@:2]-[#7:1]>>[#8]=[#6:2].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7:1]
EVODEX.1-N562 - Reaction Operator N
[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7:1](-[H:31])-[H:32]
EVODEX.1-Em553 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]=[#8:11]>>[#8]=[#6:2](-[#6:3])-[#6:10]=[#8:11].[#6]-[#6](-[H])(-[H])-[#7:1]
EVODEX.1-Nm499 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[#6]-[#6](-[H])(-[H])-[#7:1]
Source Full Reactions
EVODEX.1-R3763
[H][C@:2]([N:1]([H:31])[H:32])([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])([H:27])[H:28])[C:10](=[O:11])[O:12][H:29].[O:13]=[C:14]([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])([H:36])[H:37])[H:38]>>[C:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])([H:27])[H:28])([C:10](=[O:11])[O:12][H:29])=[O:13].[H][C:14]([N:1]([H:31])[H:32])([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])([H:36])[H:37])[H:38]