Methanol → HCID 178432112, compound
Reaction equation
[CH3:12][c:13]1[n:14][c:15]2[c:16]([n:17]1[CH:18]1[CH2:19][CH:20]3[CH2:21][CH2:22][CH:23]([CH2:24]1)[N:25]3[CH2:26][CH2:27][C:28]1([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1)[cH:40][cH:41][cH:42][cH:43]2.[CH3:44][OH:45].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[Cl:11])[cH:5][cH:6][cH:7]1.[Cl:46][CH2:47][Cl:48]>>[Cl:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[N:31]2[CH2:30][CH2:29][C:28]([CH2:27][CH2:26][N:25]3[CH:20]4[CH2:19][CH:18]([n:17]5[c:13]([CH3:12])[n:14][c:15]6[c:16]5[cH:40][cH:41][cH:42][cH:43]6)[CH2:24][CH:23]3[CH2:22][CH2:21]4)([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:33][CH2:32]2)[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-a5bb56f2ceb14ed98c9fb253940febf2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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