Hydrochloric Acid → HCID 66831963, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[n:10][o:11]2)[cH:17][cH:18][cH:19]1.[CH3:58][OH:59].[Cl:21][c:22]1[cH:23][c:24]2[c:25]([CH2:31][CH2:32][NH2:33])[cH:26][nH:27][c:28]2[cH:29][cH:30]1.[ClH:20].[Na+:61].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH-:60].[OH2:62].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([C:12](=[O:14])[NH:33][CH2:32][CH2:31][c:25]3[c:24]4[cH:23][c:22]([Cl:21])[cH:30][cH:29][c:28]4[nH:27][cH:26]3)[n:10][o:11]2)[cH:17][cH:18][cH:19]1Participants
11
Reactant 10
HCID 313Hydrochloric Acid
HCID 887Methanol
HCID 923Sodium ion
HCID 961Hydroxide
HCID 962Water
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 773795-Chlorotryptamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 51063892Ethyl 5-(3-Methoxybenzyl)-1,2,4-oxadiazole-3-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-7618eb9b52ba45649b78229a620d8251
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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