Water → HCID 178521186, compound
Reaction equation
[Br:47][CH2:48][C:49](=[O:50])[Br:51].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[Cl:58][CH2:59][Cl:60].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[NH2:8][CH:9]1[CH:10]2[S:11][CH2:12][C:13]([CH:21]=[C:22]3[C:23](=[O:46])[N:24]([CH2:27][c:28]4[cH:29][cH:30][n+:31]([CH2:34][C:35]([NH:36][c:37]5[cH:38][c:39]([F:44])[c:40]([OH:43])[cH:41][cH:42]5)=[O:45])[cH:32][cH:33]4)[CH2:25][CH2:26]3)=[C:14]([C:18](=[O:19])[OH:20])[N:15]2[C:16]1=[O:17].[OH2:52]>>[NH:8]([CH:9]1[CH:10]2[S:11][CH2:12][C:13]([CH:21]=[C:22]3[C:23](=[O:46])[N:24]([CH2:27][c:28]4[cH:29][cH:30][n+:31]([CH2:34][C:35]([NH:36][c:37]5[cH:38][c:39]([F:44])[c:40]([OH:43])[cH:41][cH:42]5)=[O:45])[cH:32][cH:33]4)[CH2:25][CH2:26]3)=[C:14]([C:18](=[O:19])[O-:20])[N:15]2[C:16]1=[O:17])[C:49]([CH2:48][Br:47])=[O:50]Participants
7
Sources & evidence
- ORD record
- ord-f98e17bbafed488bbdf4a0e2f3105558
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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