SMIRKS
[H][C@:2]([N:1]([H:32])[H:33])([C:3]([C:4]1:[C:5]([H:25]):[C:6]([I:7]):[C:8]([O:9][H:26]):[C:10]([I:11]):[C:12]:1[H:27])([H:28])[H:29])[C:13](=[O:14])[O:15][H:30]>>O=[C:2]([C:3]([C:4]1:[C:5]([H:25]):[C:6]([I:7]):[C:8]([O:9][H:26]):[C:10]([I:11]):[C:12]:1[H:27])([H:28])[H:29])[C:13](=[O:14])[O:15][H:30].[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:32])[H:33]
Derived Operators
EVODEX.1-F299 - Elemental Balance
| O | 5 |
| C | 4 |
| H | 4 |
EVODEX.1-M322 - Mass Difference
132.00582
EVODEX.1-E1067 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3])(-[#6:14]=[#8:15])-[H])(-[H:37])-[H:38]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8].[#7:1](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:37])-[H:38]
EVODEX.1-C446 - Reaction Operator C
[H]-[#6@:2]-[#7:1]>>[#8]=[#6:2].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]
EVODEX.1-N543 - Reaction Operator N
[H]-[#6@:2](-[#7:1](-[H:37])-[H:38])(-[#6:3])-[#6:14]>>[#8]=[#6:2](-[#6:3])-[#6:14].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:37])-[H:38]
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-R3618
[H][C@:2]([N:1]([H:32])[H:33])([C:3]([C:4]1:[C:5]([H:25]):[C:6]([I:7]):[C:8]([O:9][H:26]):[C:10]([I:11]):[C:12]:1[H:27])([H:28])[H:29])[C:13](=[O:14])[O:15][H:30].[O:16]=[C:17]([O:18][H:34])[C:19]([C:20](=[O:21])[C:22](=[O:23])[O:24][H:35])([H:36])[H:37]>>[C:2]([C:3]([C:4]1:[C:5]([H:25]):[C:6]([I:7]):[C:8]([O:9][H:26]):[C:10]([I:11]):[C:12]:1[H:27])([H:28])[H:29])([C:13](=[O:14])[O:15][H:30])=[O:21].[H][C@:20]([N:1]([H:32])[H:33])([C:19]([C:17](=[O:16])[O:18][H:34])([H:36])[H:37])[C:22](=[O:23])[O:24][H:35]