Methanol → HCID 178504618, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([S:30][CH3:31])[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:32].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[OH:33][O:34][C:35]([c:36]1[cH:37][c:38]([Cl:39])[cH:40][cH:41][cH:42]1)=[O:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([S:30]([CH3:31])=[O:33])[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:32]Participants
5
Sources & evidence
- ORD record
- ord-92c486a00992476188959afec755f75d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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