Methanol → HCID 178442977, compound
Reaction equation
[C:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57])(=[O:58])[Cl:59].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([O:35][CH2:36][CH2:37][CH2:38][OH:39])[O:11][CH:12]([CH2:31][C:32]([CH3:33])=[S:34])[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:66][OH:67].[Cl:68][CH2:69][Cl:70].[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([O:35][CH2:36][CH2:37][CH2:38][O:39][C:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57])=[O:58])[O:11][CH:12]([CH2:31][C:32]([CH3:33])=[S:34])[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-71be61b7040c4ba58ddffeb80f50862c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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