Hydrochloric Acid → Hydrochloric Acid

HRID 88019

Reaction equation

HRID 88019 reaction equation
[CH3:65][OH:66].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[ClH:16].[ClH:17].[NH2:18][CH:19]1[CH2:20][N:21]2[CH2:22][CH2:23][CH:24]1[CH2:25][CH2:26]2.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([C:13](=[O:14])[OH:15])[s:12]2)[cH:4][cH:5][cH:6][cH:7]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[ClH:16].[OH:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([C:13](=[O:15])[NH:18][CH:19]3[CH2:20][N:21]4[CH2:22][CH2:23][CH:24]3[CH2:25][CH2:26]4)[s:12]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1232383-AminoquinuclidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 223508435-(2-Hydroxyphenyl)-thiophene-2-carboxylic acid

Product 2

HCID 313Hydrochloric AcidHCID 9858638N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-539187e9822540f98591e29238426b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…