SMIRKS
[H]OC(=O)C(C([H])([H])[H])=[O:3].[H]N([H])[C:12]([H])([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]>>[O:3]=[C:12]([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E997 - Reaction Operator E
[#6](-[#6](=[#8:3])-[#6](=[#8])-[#8]-[H])(-[H])(-[H])-[H].[#7](-[#6@:8](-[#6:9])(-[#6:15])-[H])(-[H])-[H]>>[#8:3]=[#6:8](-[#6:9])-[#6:15]
EVODEX.1-C123 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:3].[H]-[#7](-[H])-[#6:14]-[H]>>[#8:3]=[#6:14]
EVODEX.1-N536 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:3].[H]-[#7](-[H])-[#6:14](-[H])(-[#6:13])-[#6:16]>>[#8:3]=[#6:14](-[#6:13])-[#6:16]
EVODEX.1-Em109 - Reaction Operator Em
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6](=[#8])-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3589
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:21])([H:22])([H:23])[H:24].[H][C:12]([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])([N:13]([H:27])[H:28])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]>>[H][C@:2]([C:1]([H:22])([H:23])[H:24])([C:4](=[O:5])[O:6][H:21])[N:13]([H:27])[H:28].[O:3]=[C:12]([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]