Ethanol → HCID 178453755, compound
Reaction equation
[CH3:39][CH2:40][OH:41].[Cl:42][CH2:43][Cl:44].[H:27][H:28].[IH:29].[OH:1][CH2:2][CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:12][CH2:13][N:14]1[c:15]2[c:16]([cH:20][cH:21][c:22]([N+:24]([O-:25])=[O:26])[cH:23]2)[S:17][CH2:18][CH2:19]1.[Pd:45].[s:30]1[c:31]([C:35](=[NH:36])[S:37][CH3:38])[cH:32][cH:33][cH:34]1>>[OH:1][CH2:2][CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:12][CH2:13][N:14]1[c:15]2[c:16]([cH:20][cH:21][c:22]([NH:24][C:35]([c:31]3[s:30][cH:34][cH:33][cH:32]3)=[NH:36])[cH:23]2)[S:17][CH2:18][CH2:19]1Participants
8
Sources & evidence
- ORD record
- ord-9af337d131b44d7399a084d2547402ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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