Water → HCID 22123580, compound
Reaction equation
[Cl:35][CH2:36][Cl:37].[OH2:49].[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]1[C:11]([CH3:24])([c:25]2[cH:26][cH:27][c:28]([O:31][CH2:32][O:33][CH3:34])[cH:29][cH:30]2)[CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][c:18]([O:20][CH2:21][O:22][CH3:23])[cH:19]2.[c:38]1([CH3:48])[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:42][cH:43]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[O:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]1[C:11]([CH3:24])([c:25]2[cH:26][cH:27][c:28]([O:31][CH2:32][O:33][CH3:34])[cH:29][cH:30]2)[CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][c:18]([O:20][CH2:21][O:22][CH3:23])[cH:19]2)[S:44]([c:41]1[cH:40][cH:39][c:38]([CH3:48])[cH:43][cH:42]1)(=[O:45])=[O:46]Participants
6
Sources & evidence
- ORD record
- ord-6b1972b6413441baa10d1db9b258e936
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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