Hydrochloric Acid → HCID 135819730, compound
Reaction equation
[CH3:50][CH2:51][OH:52].[ClH:49].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][c:8]([O:26][c:27]3[c:28]([O:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:29][cH:30][c:31]([C:33]#[N:34])[cH:32]3)[c:9]([F:25])[c:10]([O:13][c:14]3[c:15]([O:23][CH3:24])[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)[c:11]2[F:12])[cH:43][cH:44][cH:45]1.[NH2:46][C:47]#[N:48]>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][c:8]([O:26][c:27]3[c:28]([O:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:29][cH:30][c:31]([C:33]#[N:34])[cH:32]3)[c:9]([F:25])[c:10]([O:13][c:14]3[c:15]([O:23][CH3:24])[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)[c:11]2[F:12])[cH:43][cH:44][cH:45]1)[C:47](=[NH:46])[NH2:48]Participants
5
Sources & evidence
- ORD record
- ord-34282e41cec2493e840a5ca55bd4eb12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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