Water → HCID 58281269, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[n:9]2[cH:10][c:11]([CH3:28])[c:12]3[c:13]2[n:14][c:15]([CH3:27])[cH:16][c:17]3[N:18]2[CH2:19][CH2:20][CH:21]([CH2:24][CH2:25][OH:26])[CH2:22][CH2:23]2)[c:6]([CH3:8])[cH:7]1.[CH3:30][S:31]([Cl:32])(=[O:33])=[O:34].[CH:41]([O:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:48][CH:49]([Cl:50])[Cl:51].[OH2:52].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[n:9]2[cH:10][c:11]([CH3:28])[c:12]3[c:13]2[n:14][c:15]([CH3:27])[cH:16][c:17]3[N:18]2[CH2:19][CH2:20][CH:21]([CH2:24][CH2:25][O:26][S:31]([CH3:30])(=[O:33])=[O:34])[CH2:22][CH2:23]2)[c:6]([CH3:8])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-7e6c9c3362584a109639ba030e2f125d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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