Ethanol → HCID 178497517, compound
Reaction equation
[CH3:57][CH2:58][OH:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:29]1([O:35][c:36]2[cH:37][c:38]([B:46]([OH:47])[OH:48])[cH:39][cH:40][c:41]2[C:42](=[O:43])[O:44][CH3:45])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][NH:20][c:21]2[cH:22][cH:23][c:24]([I:27])[cH:25][cH:26]2)[OH:28])[cH:5][cH:6][cH:7]1.[K+:54].[K+:55].[K+:56].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][NH:20][c:21]2[cH:22][cH:23][c:24](-[c:38]3[cH:37][c:36]([O:35][CH:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[c:41]([C:42](=[O:43])[O:44][CH3:45])[cH:40][cH:39]3)[cH:25][cH:26]2)[OH:28])[cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-51be466dd2664f71b8238e33a9ccca27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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