SMIRKS
[H]OC([H])([H])C([H])(O[H])C([H])([H])[O:12][H:40]>>[H][O:12][H:40]
Derived Operators
EVODEX.1-F313 - Elemental Balance
| O | -2 |
| C | -3 |
| H | -6 |
EVODEX.1-M327 - Mass Difference
-74.03678000000001
EVODEX.1-E1086 - Reaction Operator E
[#8:12](-[#6](-[#6](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H:40]>>[#8:12](-[H:40])-[H]
EVODEX.1-C492 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]>>[H]-[#8:12]
EVODEX.1-N604 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]-[H:40]>>[H]-[#8:12]-[H:40]
Source Full Reactions
EVODEX.1-R5305
[O:1]([C:2]([C:3]([O:4][H:30])([C:5]([O:6][H:31])([H:32])[H:33])[H:34])([H:35])[H:36])[H:37].[H][O:17][C@@:16]1([H:41])[O:15][C@@:14]([C:13]([O:12][C@@:11]2([H:50])[O:10][C@@:9]([C:8]([O:7][H:59])([H:57])[H:58])([H:38])[C@:28]([O:29][H:55])([H:56])[C@@:26]([O:27][H:53])([H:54])[C@@:24]2([O:25][H:51])[H:52])([H:48])[H:49])([H:39])[C@@:22]([O:23][H:46])([H:47])[C@@:20]([O:21][H:44])([H:45])[C@:18]1([O:19][H:42])[H:43]>>[H][O:4][H:30].[O:1]([C:2]([C:3]([C:5]([O:6][H:31])([H:32])[H:33])([O:17][C@:16]1([H:41])[O:15][C@:14]([C:13]([O:12][C@:11]2([H:50])[O:10][C@:9]([C:8]([O:7][H:59])([H:57])[H:58])([H:38])[C@@:28]([O:29][H:55])([H:56])[C@:26]([O:27][H:53])([H:54])[C@:24]2([O:25][H:51])[H:52])([H:48])[H:49])([H:39])[C@:22]([O:23][H:46])([H:47])[C@:20]([O:21][H:44])([H:45])[C@@:18]1([O:19][H:42])[H:43])[H:34])([H:35])[H:36])[H:37]
EVODEX.1-R5306
[H][O:23][C@@:22]1([H:39])[O:21][C@@:20]([C:19]([O:18][C@@:17]2([H:48])[O:16][C@@:15]([C:14]([O:13][H:57])([H:55])[H:56])([H:36])[C@:34]([O:35][H:53])([H:54])[C@@:32]([O:33][H:51])([H:52])[C@@:30]2([O:31][H:49])[H:50])([H:46])[H:47])([H:37])[C@@:28]([O:29][H:44])([H:45])[C@@:26]([O:27][H:42])([H:43])[C@:24]1([O:25][H:40])[H:41].[O:1]([C:2]([C:3]([O:4][H:58])([C:5]([O:6][H:59])([H:60])[H:61])[H:62])([H:63])[H:64])[H:65].[H][O:10][C:9]([C:8]([O:7][H:73])([H:71])[H:72])([C:11]([O:12][H:67])([H:68])[H:69])[H:70]>>[H][O:4][H:58].[H][O:18][C:19]([C@@:20]1([H:37])[O:21][C@@:22]([O:23][C:3]([C:2]([O:1][H:65])([H:63])[H:64])([C:5]([O:6][H:59])([H:60])[H:61])[H:62])([H:39])[C@@:24]([O:25][H:40])([H:41])[C@:26]([O:27][H:42])([H:43])[C@:28]1([O:29][H:44])[H:45])([H:46])[H:47].[O:7]([C:8]([C:9]([O:10][C@:17]1([H:48])[O:16][C@@:15]([C:14]([O:13][H:57])([H:55])[H:56])([H:36])[C@:34]([O:35][H:53])([H:54])[C@@:32]([O:33][H:51])([H:52])[C@@:30]1([O:31][H:49])[H:50])([C:11]([O:12][H:67])([H:68])[H:69])[H:70])([H:71])[H:72])[H:73]
EVODEX.1-R5094
[H][O:10][P:8]([O:7][C:6]([C:5]([N+:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:18])([H:19])[H:20])[C:4]([H:21])([H:22])[H:23])([H:28])[H:29])([H:26])[H:27])(=[O:9])[O:11][H:25].[O:12]([C:13]([C:14]([O:15][H:33])([C:16]([O:17][H:34])([H:35])[H:36])[H:37])([H:38])[H:39])[H:40]>>[C:1]([N+:2]([C:3]([H:18])([H:19])[H:20])([C:4]([H:21])([H:22])[H:23])[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][C:13]([C@:14]([O:15][H:33])([C:16]([O:17][H:34])([H:35])[H:36])[H:37])([H:38])[H:39])[O:11][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:12][H:40]
EVODEX.1-R7015
[H][O:1][C:2]([H])([C:3]([O:4][H:7])([C:5]([O:6][H:8])([H:9])[H:10])[H:11])[H:12]>>[H][C:3]([C:2](=[O:1])[H:12])([C:5]([O:6][H:8])([H:9])[H:10])[H:11].[H][O:4][H:7]