Ethanol → HCID 9906236, compound
Reaction equation
[CH3:1][N:2]1[CH2:3][CH:4]([CH2:8][CH2:9][CH2:10][N:11]2[C:12](=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[C:20]2=[O:21])[CH2:5][CH2:6][CH2:7]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:46][CH2:47][OH:48].[NH2:23][NH2:24].[OH2:22].[cH:32]1[c:33]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:34][cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12>>[CH3:1][N:2]1[CH2:3][CH:4]([CH2:8][CH2:9][CH2:10][NH:11][S:42]([c:33]2[cH:32][c:41]3[c:36]([cH:35][cH:34]2)[cH:37][cH:38][cH:39][cH:40]3)(=[O:43])=[O:44])[CH2:5][CH2:6][CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-47e185ca7e814396a45f54e025b787bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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