Water → HCID 59478400, compound
Reaction equation
[CH3:44][S:45]([Cl:46])(=[O:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[NH2:1][CH:2]1[CH:3]([N:8]2[C:9](=[O:37])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH:16]([C:26](=[O:27])[NH:28][O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH:17]2[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:55].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[NH:1]([CH:2]1[CH:3]([N:8]2[C:9](=[O:37])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH:16]([C:26](=[O:27])[NH:28][O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH:17]2[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[CH2:4][CH2:5][CH2:6][CH2:7]1)[S:45]([CH3:44])(=[O:47])=[O:48]Participants
6
Sources & evidence
- ORD record
- ord-06ecc824335341aea03dfa4dbd960edd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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