SMIRKS
[H]N([H])[C:2]([H])([C:3]1:[C:4]([H:23]):[C:5]([H:24]):[C:6]([H:25]):[C:7]([C:8]([C:9](=[O:10])[O:11][H:26])([H:27])[H:28]):[C:12]:1[H:29])[H:30].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:19]>>[C:2]([C:3]1:[C:4]([H:23]):[C:5]([H:24]):[C:6]([H:25]):[C:7]([C:8]([C:9](=[O:10])[O:11][H:26])([H:27])[H:28]):[C:12]:1[H:29])(=[O:19])[H:30]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1033 - Reaction Operator E
[#6:20](-[#6@@:19])(-[#7](-[H])-[H])(-[H:63])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8:49])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#6:20](-[#6@@:19])(=[#8:49])-[H:63]
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N523 - Reaction Operator N
[H]-[#7](-[H])-[#6:13](-[H])(-[#6:12])-[H:34].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:12]-[#6:13](=[#8:23])-[H:34]
EVODEX.1-Em111 - Reaction Operator Em
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6](=[#8])-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
EVODEX.1-Nm142 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6]-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
Source Full Reactions
EVODEX.1-R3596
[H][C:2]([N:1]([H:32])[H:33])([C:3]1:[C:4]([H:23]):[C:5]([H:24]):[C:6]([H:25]):[C:7]([C:8]([C:9](=[O:10])[O:11][H:26])([H:27])[H:28]):[C:12]:1[H:29])[H:30].[O:13]=[C:14]([O:15][H:34])[C:16]([C:17]([C:18](=[O:19])[C:20](=[O:21])[O:22][H:35])([H:36])[H:37])([H:38])[H:39]>>[C:2]([C:3]1:[C:4]([H:23]):[C:5]([H:24]):[C:6]([H:25]):[C:7]([C:8]([C:9](=[O:10])[O:11][H:26])([H:27])[H:28]):[C:12]:1[H:29])(=[O:19])[H:30].[H][C@:18]([N:1]([H:32])[H:33])([C:17]([C:16]([C:14](=[O:13])[O:15][H:34])([H:38])[H:39])([H:36])[H:37])[C:20](=[O:21])[O:22][H:35]