Water → HCID 178499203, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([C:49](=[O:50])[OH:51])[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][c:39]3[s:40][c:41](-[c:44]4[o:45][cH:46][cH:47][cH:48]4)[cH:42][n:43]3)[c:34]([Cl:37])[cH:35][cH:36]2)[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.[Cl:53][CH2:54][Cl:55].[OH2:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([C:49](=[O:50])[O:51][CH3:54])[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][c:39]3[s:40][c:41](-[c:44]4[o:45][cH:46][cH:47][cH:48]4)[cH:42][n:43]3)[c:34]([Cl:37])[cH:35][cH:36]2)[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
4
Sources & evidence
- ORD record
- ord-e5192efe13e746bbb3d6cf431aec5024
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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