Methanol → HCID 21073875, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:42][OH:43].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:38][C:39]([Cl:40])=[O:41].[NH2:1][c:2]1[n:3][c:4]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][N:20]([c:23]3[c:24]([Cl:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[OH:11]>>[NH:1]1[c:2]2[n:3][c:4]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]3[CH2:18][CH2:19][N:20]([c:23]4[c:24]([Cl:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]4)[CH2:21][CH2:22]3)[cH:5][cH:6][c:7]2[C:8]([CH3:9])([CH3:10])[O:11][C:39]1=[O:41]Participants
7
Sources & evidence
- ORD record
- ord-26c9a5191170445eb7467dd13c0cad98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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