Hydrochloric Acid → HCID 57919796, compound
Reaction equation
[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[ClH:48].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:25])[n:9](-[c:16]3[s:17][c:18]([C:22](=[O:23])[OH:24])[c:19]([CH3:21])[n:20]3)[c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[cH:26][cH:27]1.[NH2:60][CH2:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:25])[n:9](-[c:16]3[s:17][c:18]([C:22](=[O:23])[NH:60][CH2:61][c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[c:19]([CH3:21])[n:20]3)[c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[cH:26][cH:27]1Participants
9
Sources & evidence
- ORD record
- ord-1b42101786094698becf6333d2db4708
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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