SMIRKS
[H]O[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(O[C@:8]2([H:41])[C@:6]([O:7][H:28])([H:29])[C@@:5]([N:4]([C:2]([C:1]([H:49])([H:50])[H:51])=[O:3])[H:48])([H:27])[C@@:24]([O:25][H:46])([H:47])[O:23][C@:20]2([C:21]([O:22][H:42])([H:43])[H:44])[H:45])O[C@]([H])(C([H])([H])[H])[C@]1([H])O[H].[H][O:26][H:52]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:27])[C@@:6]([O:7][H:28])([H:29])[C@@:8]([O:26][H:52])([H:41])[C@@:20]([C:21]([O:22][H:42])([H:43])[H:44])([H:45])[O:23][C@:24]1([O:25][H:46])[H:47])[H:48])([H:49])([H:50])[H:51]
Derived Operators
EVODEX.1-F405 - Elemental Balance
| C | -6 |
| O | -5 |
| H | -12 |
EVODEX.1-M397 - Mass Difference
-164.06846
EVODEX.1-E1210 - Reaction Operator E
[#8](-[#6@@:12](-[#6@:3])(-[#6@@:10])-[H:45])-[#6@]1(-[H])-[#8]-[#6@](-[#6](-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H].[#8:24](-[H:49])-[H]>>[#8:24](-[#6@@:12](-[#6@:3])(-[#6@@:10])-[H:45])-[H:49]
EVODEX.1-C1119 - Reaction Operator C
([H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:34](-[#6@:31])-[#6@:46])-[#6@@]-1(-[H])-[#8]-[H].[#6@:6]).[H]-[#8:59]>>([#8:59]-[#6@@:34](-[#6@@:31])-[#6@@:46].[#6@@:6])
EVODEX.1-N1381 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:34]2(-[H:98])-[#6@:31](-[#6:32])(-[H:86])-[#8:30]-[#6@:6](-[#8:7])(-[H:82])-[#6@@:5]-[#6@:46]-2(-[#8:47])-[H:110])-[#6@@]-1(-[H])-[#8]-[H].[H]-[#8:59]-[H:115]>>[#8:7]-[#6@:6]1(-[#6@@:5]-[#6@:46](-[#6@@:34](-[#6@:31](-[#8:30]-1)(-[#6:32])-[H:86])(-[#8:59]-[H:115])-[H:98])(-[#8:47])-[H:110])-[H:82]
EVODEX.1-Em68 - Reaction Operator Em
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
EVODEX.1-Nm82 - Reaction Operator Nm
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
Source Full Reactions
EVODEX.1-R5338
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:27])[C@@:6]([O:7][H:28])([H:29])[C@:8]([O:9][C@@:10]2([H:30])[O:11][C@@:12]([C:13]([H:31])([H:32])[H:33])([H:34])[C@@:14]([O:15][H:35])([H:36])[C@@:16]([O:17][H:37])([H:38])[C@:18]2([O:19][H:39])[H:40])([H:41])[C@@:20]([C:21]([O:22][H:42])([H:43])[H:44])([H:45])[O:23][C@:24]1([O:25][H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][O:26][H:52]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:27])[C@@:6]([O:7][H:28])([H:29])[C@@:8]([O:26][H:52])([H:41])[C@@:20]([C:21]([O:22][H:42])([H:43])[H:44])([H:45])[O:23][C@:24]1([O:25][H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][O:9][C@@:10]1([H:30])[O:11][C@@:12]([C:13]([H:31])([H:32])[H:33])([H:34])[C@@:14]([O:15][H:35])([H:36])[C@@:16]([O:17][H:37])([H:38])[C@:18]1([O:19][H:39])[H:40]