Ethanol → HCID 18707006, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]2[n:11]3[c:12]([c:13](-[c:20]4[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:24][cH:25]4)[c:14]([CH2:18][CH3:19])[c:15]3[cH:16][cH:17]1)[c:34]([CH2:36][O:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][Cl:43])[cH:35]2.[CH2:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH3:52][CH2:53][OH:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[H-:44].[Na+:45].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]2[n:11]3[c:12]([c:13](-[c:20]4[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:24][cH:25]4)[c:14]([CH2:18][CH3:19])[c:15]3[cH:16][cH:17]1)[c:34]([CH2:36][O:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][N:49]1[CH2:48][CH2:47][CH2:46][CH2:51][CH2:50]1)[cH:35]2Participants
8
Sources & evidence
- ORD record
- ord-2052665cd1fc43eba484a543ecb36b37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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