SMIRKS
[H]N([H])[C@@:2]([H])([C:3]([C:4]1:[C:5]([H:25]):[N:6]([H:26]):[C:7]2:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1:2)([H:31])[H:32])[C:13](=[O:14])[O:15][H:33].[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:21]>>[C:2]([C:3]([C:4]1:[C:5]([H:25]):[N:6]([H:26]):[C:7]2:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1:2)([H:31])[H:32])([C:13](=[O:14])[O:15][H:33])=[O:21]
Derived Operators
EVODEX.1-F435 - Elemental Balance
| O | -4 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M184 - Mass Difference
-133.03751
EVODEX.1-E1239 - Reaction Operator E
[#7](-[#6@@:2](-[#6:3])(-[#6:14]=[#8:15])-[H])(-[H])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](=[#8:22])-[#6](=[#8])-[#8]-[H])(-[H])-[H]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8:22]
EVODEX.1-C423 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:5]=[#8:15]
EVODEX.1-N504 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:5](-[H])(-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:4]-[#6:5](-[#6:7])=[#8:15]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
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-R3626
[H][C@:2]([N:1]([H:35])[H:36])([C:3]([C:4]1:[C:5]([H:25]):[N:6]([H:26]):[C:7]2:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1:2)([H:31])[H:32])[C:13](=[O:14])[O:15][H:33].[O:16]=[C:17]([O:18][H:37])[C:19]([C:20](=[O:21])[C:22](=[O:23])[O:24][H:38])([H:39])[H:40]>>[C:2]([C:3]([C:4]1:[C:5]([H:25]):[N:6]([H:26]):[C:7]2:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1:2)([H:31])[H:32])([C:13](=[O:14])[O:15][H:33])=[O:21].[H][C@:20]([N:1]([H:35])[H:36])([C:19]([C:17](=[O:16])[O:18][H:37])([H:39])[H:40])[C:22](=[O:23])[O:24][H:38]