Hydrochloric Acid → HCID 178484624, compound
Reaction equation
[CH3:2][NH:3][CH3:4].[CH3:5][CH2:6][N:7]([CH2:8][CH3:9])[CH2:10][CH3:11].[ClH:1].[F:22][c:23]1[cH:24][c:25]([C:30]([C:31]([C:32](=[O:33])[c:34]2[cH:35][c:36]([S:40](=[O:41])(=[O:42])[NH:43][C:44]([C:45](=[O:46])[OH:47])=[NH:48])[cH:37][cH:38][cH:39]2)=[C:49]2[NH:50][c:51]3[c:52]([cH:54][cH:55][cH:56][cH:57]3)[NH:53]2)=[O:58])[cH:26][c:27]([F:29])[cH:28]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59].[OH:12][n:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[n:20][n:21]1>>[CH3:2][N:3]([CH3:4])[C:45]([C:44]([NH:43][S:40]([c:36]1[cH:35][c:34]([C:32]([C:31]([C:30]([c:25]2[cH:24][c:23]([F:22])[cH:28][c:27]([F:29])[cH:26]2)=[O:58])=[C:49]2[NH:50][c:51]3[c:52]([cH:54][cH:55][cH:56][cH:57]3)[NH:53]2)=[O:33])[cH:39][cH:38][cH:37]1)(=[O:41])=[O:42])=[NH:48])=[O:47]Participants
8
Sources & evidence
- ORD record
- ord-3538b392a5c04d6e97cc3dd5c4415667
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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