SMIRKS
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@:25]2([H:68])[C@:5]([N:4]([C:2]([C:1]([H:70])([H:71])[H:72])=[O:3])[H:69])([H:38])[C:6]([O:7][H:39])([H:40])[O:8][C@@:9]([C:10]([O:11][H:41])([H:42])[H:43])([H:44])[C@:12]2([O:13][C@:14]2([H:45])[O:15][C@@:16]([C:17]([O:18][H:46])([H:47])[H:48])([H:49])[C@@:19]([O:20][H:50])([H:51])[C@@:21]([O:22][H:52])([H:53])[C@:23]2([O:24][H:54])[H:55])[H:56])[C@@]1([H])O[H].[H][O:37][H:73]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:38])[C:6]([O:7][H:39])([H:40])[O:8][C@@:9]([C:10]([O:11][H:41])([H:42])[H:43])([H:44])[C@:12]([O:13][C@:14]2([H:45])[O:15][C@@:16]([C:17]([O:18][H:46])([H:47])[H:48])([H:49])[C@@:19]([O:20][H:50])([H:51])[C@@:21]([O:22][H:52])([H:53])[C@:23]2([O:24][H:54])[H:55])([H:56])[C@@:25]1([O:37][H:73])[H:68])[H:69])([H:70])([H:71])[H:72]
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-C1407 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:25]-[#6@:5])-[#6@@]-1(-[H])-[#8]-[H].[H]-[#8:37]>>[#8:37]-[#6@@:25]-[#6@@:5]
EVODEX.1-N1789 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:25](-[H:68])(-[#6@:5](-[#7:4])(-[H:38])-[#6:6])-[#6@:12])-[#6@@]-1(-[H])-[#8]-[H].[H]-[#8:37]-[H:73]>>[#7:4]-[#6@@:5](-[H:38])(-[#6:6])-[#6@:25](-[#6@:12])(-[#8:37]-[H:73])-[H:68]
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-R5341
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:38])[C:6]([O:7][H:39])([H:40])[O:8][C@@:9]([C:10]([O:11][H:41])([H:42])[H:43])([H:44])[C@:12]([O:13][C@:14]2([H:45])[O:15][C@@:16]([C:17]([O:18][H:46])([H:47])[H:48])([H:49])[C@@:19]([O:20][H:50])([H:51])[C@@:21]([O:22][H:52])([H:53])[C@:23]2([O:24][H:54])[H:55])([H:56])[C@@:25]1([O:26][C@:27]1([H:57])[O:28][C@:29]([C:30]([H:58])([H:59])[H:60])([H:61])[C@:31]([O:32][H:62])([H:63])[C@:33]([O:34][H:64])([H:65])[C@@:35]1([O:36][H:66])[H:67])[H:68])[H:69])([H:70])([H:71])[H:72].[H][O:37][H:73]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:38])[C:6]([O:7][H:39])([H:40])[O:8][C@@:9]([C:10]([O:11][H:41])([H:42])[H:43])([H:44])[C@:12]([O:13][C@:14]2([H:45])[O:15][C@@:16]([C:17]([O:18][H:46])([H:47])[H:48])([H:49])[C@@:19]([O:20][H:50])([H:51])[C@@:21]([O:22][H:52])([H:53])[C@:23]2([O:24][H:54])[H:55])([H:56])[C@@:25]1([O:37][H:73])[H:68])[H:69])([H:70])([H:71])[H:72].[H][O:26][C@:27]1([H:57])[O:28][C@:29]([C:30]([H:58])([H:59])[H:60])([H:61])[C@:31]([O:32][H:62])([H:63])[C@:33]([O:34][H:64])([H:65])[C@@:35]1([O:36][H:66])[H:67]