Hydrochloric Acid → HCID 59312978, compound
Reaction equation
[CH3:50][S:51]([CH3:52])=[O:53].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[n:3][c:4](-[c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2.[ClH:26].[ClH:27].[NH2:28][c:29]1[n:30][c:31]([NH:37][CH2:38][CH2:39][NH2:40])[cH:32][cH:33][c:34]1[C:35]#[N:36]>>[c:2]1([NH:40][CH2:39][CH2:38][NH:37][c:31]2[n:30][c:29]([NH2:28])[c:34]([C:35]#[N:36])[cH:33][cH:32]2)[n:3][c:4](-[c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2Participants
6
Sources & evidence
- ORD record
- ord-58f1839ae0ec46d89df76498c1ee3859
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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