Hydrochloric Acid → HCID 178523210, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:13])[c:9]([Cl:12])[cH:10][cH:11]1)[NH:14][C:15]([c:16]1[c:17]([NH:23][S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][c:31]3[c:32]2[n:33][s:34][n:35]3)[cH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:36])=[O:37].[CH3:62][O:63][C:64](=[O:65])[CH:66]([CH2:67][c:68]1[cH:69][cH:70][c:71]([Cl:72])[c:73]([Cl:74])[cH:75]1)[NH2:76].[ClH:61].[n:38]1[s:39][n:40][c:41]2[c:42]([S:43]([NH:44][c:45]3[cH:46][c:47]([Br:48])[cH:49][cH:50][c:51]3[C:52]([OH:53])=[O:54])(=[O:55])=[O:56])[cH:57][cH:58][cH:59][c:60]12>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:13])[c:9]([Cl:12])[cH:10][cH:11]1)[NH:14][C:15]([c:16]1[c:17]([NH:23][S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][c:31]3[c:32]2[n:33][s:34][n:35]3)[cH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:36])[OH:37]Participants
5
Sources & evidence
- ORD record
- ord-ca218de3cfab407ab2c95569f5e4e43a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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