Dimethyl Sulfoxide → 6-(6-Amino-pyrimidin-4-yloxy)-3,4-dihydro-2H-quinoline-1-carboxylic acid (4-pyrrolidin-1-ylmethyl-3-trifluoromethyl-phenyl)-amide

HRID 2344633Notes

Reaction equation

HRID 2344633 reaction equation
[CH3:55][S:56]([CH3:57])=[O:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[NH2:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[NH:15][CH2:14][CH2:13][CH2:12]3)[n:5][cH:6][n:7]1.[OH2:54].[c:19]1([O:25][C:26](=[O:20])[NH:27][c:28]2[cH:29][c:30]([C:40]([F:41])([F:42])[F:43])[c:31]([CH2:34][N:35]3[CH2:36][CH2:37][CH2:38][CH2:39]3)[cH:32][cH:33]2)[cH:21][cH:22][cH:23][cH:24][cH:44]1>>[NH2:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[N:15]([C:26](=[O:25])[NH:27][c:28]2[cH:29][c:30]([C:40]([F:41])([F:42])[F:43])[c:31]([CH2:34][N:35]4[CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:32][cH:33]2)[CH2:14][CH2:13][CH2:12]3)[n:5][cH:6][n:7]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 595964216-Amino-4-(1,2,3,4-tetrahydro-quinolin-6-yloxy)-pyrimidineHCID 67530371(4-Pyrrolidin-1-ylmethyl-3-trifluoromethyl-phenyl)-carbamic acid phenyl ester

Product 1

HCID 595963796-(6-Amino-pyrimidin-4-yloxy)-3,4-dihydro-2H-quinoline-1-carboxylic acid (4-pyrrolidin-1-ylmethyl-3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-0bdc84bc383b4ea3934da0f6b0ac5180
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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