Ethanesulfonate → 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid (1-phenyl-propyl)-amide

HRID 146791

Reaction equation

HRID 146791 reaction equation
[CH3:41][CH2:42][S:43](=[O:44])(=[O:45])[O-:46].[c:1]1([CH:7]([CH3:8])[NH:9][C:10](=[O:11])[c:12]2[cH:13][n:14][c:15]3[cH:16][c:17]([NH:22][C:23](=[O:24])[c:25]4[c:26](-[c:31]5[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]5)[cH:27][cH:28][cH:29][cH:30]4)[cH:18][cH:19][c:20]3[cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH3:41])[NH:9][C:10](=[O:11])[c:12]2[cH:13][n:14][c:15]3[cH:16][c:17]([NH:22][C:23](=[O:24])[c:25]4[c:26](-[c:31]5[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]5)[cH:27][cH:28][cH:29][cH:30]4)[cH:18][cH:19][c:20]3[cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 3717105EthanesulfonateHCID 101196277-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid (1-phenyl-ethyl)-amide

Product 1

HCID 101463977-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid (1-phenyl-propyl)-amide

Sources & evidence

ORD record
ord-95894cd8852c40a9abc026cad07aa352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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