Hydrochloric Acid → HCID 54580096, compound
Reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:35][cH:36][cH:37][cH:38]2.[Cl:60][CH2:61][Cl:62].[ClH:1].[ClH:2].[NH2:46][S:47](=[O:48])(=[O:49])[c:50]1[cH:51][c:52]([C:53](=[O:54])[Cl:55])[cH:56][cH:57][c:58]1[Cl:59]>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([C:53]([c:52]3[cH:51][c:50]([S:47]([NH2:46])(=[O:48])=[O:49])[c:58]([Cl:59])[cH:57][cH:56]3)=[O:54])[CH2:23][CH2:24]1)[cH:35][cH:36][cH:37][cH:38]2Participants
6
Sources & evidence
- ORD record
- ord-a1cdfd4cc09c424d90eb2b77e2bd1af2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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