Hydrochloric Acid → HCID 72297362, compound
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]([CH2:11][N:12]2[c:13]3[c:14]([cH:38][c:39]([CH3:47])[c:40]([C:43]([F:44])([F:45])[F:46])[c:41]3[CH3:42])[CH:15]([N:19]([c:20]3[n:21][n:22][n:23]([CH3:25])[n:24]3)[CH2:26][c:27]3[cH:28][c:29]([Cl:37])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[CH2:16][CH2:17][CH2:18]2)[CH2:9][CH2:10]1)=[O:48].[CH3:51][OH:52].[ClH:54].[Na+:50].[OH-:49].[OH2:53]>>[O:2]=[C:3]([CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]([CH2:11][N:12]2[c:13]3[c:14]([cH:38][c:39]([CH3:47])[c:40]([C:43]([F:44])([F:45])[F:46])[c:41]3[CH3:42])[CH:15]([N:19]([c:20]3[n:21][n:22][n:23]([CH3:25])[n:24]3)[CH2:26][c:27]3[cH:28][c:29]([Cl:37])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[CH2:16][CH2:17][CH2:18]2)[CH2:9][CH2:10]1)[OH:48]Participants
7
Sources & evidence
- ORD record
- ord-e255b2c862c24272a5a8eddaf1d9b548
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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