Methanol → HCID 178468243, compound
Reaction equation
[CH3:42][OH:43].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[Na+:41].[OH-:40].[OH2:49].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17](-[c:19]2[n:20][n:21]([CH:35]4[CH2:36][O:37][CH2:38][CH2:39]4)[cH:22][c:23]2-[c:24]2[n:25][c:26]([NH:30][CH2:31][CH:32]([CH3:33])[OH:34])[n:27][cH:28][cH:29]2)[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[cH:11][cH:12][c:13]2[c:14]1[n:15][cH:16][c:17](-[c:19]1[n:20][n:21]([CH:35]3[CH2:36][O:37][CH2:38][CH2:39]3)[cH:22][c:23]1-[c:24]1[n:25][c:26]([NH:30][CH2:31][CH:32]([CH3:33])[OH:34])[n:27][cH:28][cH:29]1)[cH:18]2Participants
7
Sources & evidence
- ORD record
- ord-c797415cd2c243a59f0a2edb145b7b11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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