Hydrochloric Acid → HCID 22261875, compound
Reaction equation
[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:61][C:62]#[N:63].[ClH:38].[F:24][c:25]1[cH:26][cH:27][c:28]([C:35](=[O:36])[OH:37])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([S:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]1.[OH2:50].[OH2:64].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([S:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]1)[C:35]([c:28]1[cH:27][cH:26][c:25]([F:24])[c:34]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2)=[O:36]Participants
8
Sources & evidence
- ORD record
- ord-f4458a4a8b62450aaf8a05019ecdaa6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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