Water → HCID 178491396, 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]([OH:37])[CH:11]([n:28]2[c:29](=[O:30])[nH:31][c:32](=[O:33])[c:34]([CH3:35])[cH:36]2)[O:12][C:13]1([CH2:14][OH:15])[CH2:16][O:17][S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1.[CH3:38][O:39][c:40]1[cH:41][cH:42][c:43]([C:44]([c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[Cl:59])[cH:60][cH:61]1.[Cl:69][CH2:70][Cl:71].[OH2:62].[cH:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([OH:37])[CH:11]([n:28]2[c:29](=[O:30])[nH:31][c:32](=[O:33])[c:34]([CH3:35])[cH:36]2)[O:12][C:13]1([CH2:14][O:15][C:44]([c:43]1[cH:42][cH:41][c:40]([O:39][CH3:38])[cH:61][cH:60]1)([c:45]1[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH2:16][O:17][S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1Participants
6
Sources & evidence
- ORD record
- ord-ba262fbe5df644b3b1234c1bfa0c24ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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