SMIRKS
[H][N:3]([C:2](=[N:1][H:34])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])[H:21]>>[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:3]([C:2](=[N:1][H:34])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])[H:21]
Derived Operators
EVODEX.1-F272 - Elemental Balance
| O | 4 |
| C | 4 |
| H | 4 |
EVODEX.1-M551 - Mass Difference
116.01092
EVODEX.1-E819 - Reaction Operator E
[#7:1](-[#6:2])(-[H:46])-[H]>>[#7:1](-[#6:2])(-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])-[H:46]
EVODEX.1-C749 - Reaction Operator C
[H]-[#7:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]
EVODEX.1-N956 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:46]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[#6:2])-[H:46]
Source Full Reactions
EVODEX.1-R7089
[H][N:3]([C:2](=[N:1][H:34])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])[H:21].[O:13]=[C:14]([O:15][H:35])[C:16](=[C:17]([C:18](=[O:19])[O:20][H:36])[H:37])[H:38]>>[H][C:17]([C@:16]([N:3]([C:2](=[N:1][H:34])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:12][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])[H:21])([C:14](=[O:13])[O:15][H:35])[H:38])([C:18](=[O:19])[O:20][H:36])[H:37]