Hydrochloric Acid → HCID 178430140, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([N:11]2[CH2:12][CH:13]([CH3:39])[N:14]([c:17]3[n:18][c:19]4[c:20]([nH:21]3)[cH:22][c:23]([C:35]([F:36])([F:37])[F:38])[cH:24][c:25]4-[c:26]3[cH:27][c:28]([F:34])[c:29]([F:33])[c:30]([F:32])[cH:31]3)[CH2:15][CH2:16]2)[c:8]([Cl:10])[cH:9]1)=[O:40].[ClH:43].[Na+:42].[OH-:41]>>[O:2]=[C:3]([c:4]1[cH:5][n:6][c:7]([N:11]2[CH2:12][CH:13]([CH3:39])[N:14]([c:17]3[nH:18][c:19]4[c:20]([n:21]3)[cH:22][c:23]([C:35]([F:36])([F:37])[F:38])[cH:24][c:25]4-[c:26]3[cH:27][c:28]([F:34])[c:29]([F:33])[c:30]([F:32])[cH:31]3)[CH2:15][CH2:16]2)[c:8]([Cl:10])[cH:9]1)[OH:40]Participants
6
Sources & evidence
- ORD record
- ord-8d0e1277b92e4f898dcd00092e58dcce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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