Hydrochloric Acid → [5-(2-Methyl-2H-pyrazol-3-yl)-thiophen-3-yl]-octahydro-quinolin-1-yl-methanone

HRID 1135199Notes

Reaction equation

HRID 1135199 reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][c:9]([C:12](=[O:13])[OH:14])[cH:10][s:11]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[ClH:24].[NH:25]1[CH2:26][CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]12.[OH2:64].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][c:9]([C:12](=[O:14])[N:25]2[CH2:26][CH2:27][CH2:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]23)[cH:10][s:11]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 92911DecahydroquinolineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581103265-(1-methyl-1H-pyrazol-5-yl)-3-thiophenecarboxylic acid

Product 1

HCID 44227723[5-(2-Methyl-2H-pyrazol-3-yl)-thiophen-3-yl]-octahydro-quinolin-1-yl-methanone

Sources & evidence

ORD record
ord-1b22357d4f2448abb9b49fcff135da3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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