Methanol → HCID 91444257, compound
Reaction equation
[C:38]([CH3:39])(=[S:40])[OH:41].[CH2:42]([O:43][CH:44]([O:45][CH2:46][C:47]([CH3:48])([CH3:49])[CH3:50])[N:51]([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57].[CH3:1][O:2][C:3](=[O:4])[CH2:5][n:6]1[cH:7][c:8]([CH:11]=[C:12]2[CH2:13][N:14]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:15][CH2:16][CH:17]2[OH:18])[cH:9][cH:10]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][OH:67].[OH2:58]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][n:6]1[cH:7][c:8]([CH:11]=[C:12]2[CH2:13][N:14]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:15][CH2:16][CH:17]2[S:40][C:38]([CH3:39])=[O:41])[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-d352236f3ffa4605bc53bf1e346a8adb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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