Hydrochloric Acid → HCID 11949929, compound
Reaction equation
[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[CH:66]([Cl:67])([Cl:68])[Cl:69].[ClH:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:29])[c:6](-[c:8]2[c:9]3[c:10]([n:11][c:12]([S:14][CH3:15])[n:13]2)[N:16]([c:21]2[c:22]([F:28])[cH:23][cH:24][cH:25][c:26]2[F:27])[C:17](=[O:20])[NH:18][CH2:19]3)[cH:7]1.[s:30]1[cH:31][c:32]([C:35](=[O:36])[OH:37])[cH:33][cH:34]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:29])[c:6](-[c:8]2[c:9]3[c:10]([n:11][c:12]([S:14][CH3:15])[n:13]2)[N:16]([c:21]2[c:22]([F:28])[cH:23][cH:24][cH:25][c:26]2[F:27])[C:17](=[O:20])[NH:18][CH2:19]3)[cH:7]1)[C:35]([c:32]1[cH:31][s:30][cH:34][cH:33]1)=[O:36]Participants
8
Sources & evidence
- ORD record
- ord-586205ab94c341b8b12dad30da049f83
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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