Water → HCID 21070037, compound
Reaction equation
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][S:49]([Cl:50])(=[O:51])=[O:52].[Cl:54][CH2:55][Cl:56].[F:1][c:2]1[cH:3][c:4]([N:33]2[CH:34]([CH2:39][OH:40])[CH2:35][CH2:36][C:37]2=[O:38])[c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:17]([c:18](=[O:28])[c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:15][O:14][C:13]3([CH3:29])[CH3:30])[cH:31][cH:32]1.[OH2:53]>>[F:1][c:2]1[cH:3][c:4]([N:33]2[CH:34]([CH2:39][O:40][S:49]([CH3:48])(=[O:51])=[O:52])[CH2:35][CH2:36][C:37]2=[O:38])[c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:17]([c:18](=[O:28])[c:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:15][O:14][C:13]3([CH3:29])[CH3:30])[cH:31][cH:32]1Participants
6
Sources & evidence
- ORD record
- ord-099555e9ff5d438db30f34f795f97251
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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