Bromide ion → HCID 22275764, compound
Reaction equation
[Br-:67].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:6]([N:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][c:14]2[Cl:15])[CH:16]([CH3:17])[CH2:18][CH2:19][N:23]2[CH2:24][CH2:25][S:26][CH:27]2[C:20](=[O:21])[OH:22])(=[O:28])=[O:29])[cH:30][cH:31]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[N:42]([CH:43]([CH2:44][CH2:45][CH2:46][N:47]2[CH2:48][S:49][CH:50]([CH2:52][C:53]([OH:54])=[O:55])[CH2:51]2)[CH3:56])[c:57]2[c:58]([Cl:64])[cH:59][cH:60][c:61]([Cl:63])[cH:62]2)[cH:37][cH:38]1.[K+:66].[K+:68].[OH-:65]>>[C:20](=[O:21])([OH:22])[CH:50]1[S:49][CH2:48][N:47]([CH2:46][CH2:45][CH2:44][CH:43]([N:42]([S:39]([c:36]2[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]2)(=[O:40])=[O:41])[c:57]2[c:58]([Cl:64])[cH:59][cH:60][c:61]([Cl:63])[cH:62]2)[CH3:56])[CH2:51]1Participants
6
Sources & evidence
- ORD record
- ord-8bebd1293cad4467b4233fba5db916c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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