1-{1-[5-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methanamine → 4-[5-Cyano-7-(methylthio)-1,3-benzoxazol-2-yl]-N-({1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methyl)benzamide

HRID 1131453Notes

Reaction equation

HRID 1131453 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:21][CH3:22])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]3)[o:10]2)[cH:20]1.[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([N:31]2[CH2:32][CH2:33][CH:34]([CH2:37][NH2:38])[CH2:35][CH2:36]2)[n:29][cH:30]1)([F:39])[F:40]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:21][CH3:22])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:38][CH2:37][CH:34]4[CH2:33][CH2:32][N:31]([c:28]5[cH:27][cH:26][c:25]([C:24]([F:23])([F:39])[F:40])[cH:30][n:29]5)[CH2:36][CH2:35]4)[cH:18][cH:19]3)[o:10]2)[cH:20]1

Participants

3

Reactant 2

HCID 595860421-{1-[5-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methanamineHCID 687460974-[5-Cyano-7-(methylthio)-1,3-benzoxazol-2-yl]benzoic acid

Product 1

HCID 251724904-[5-Cyano-7-(methylthio)-1,3-benzoxazol-2-yl]-N-({1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methyl)benzamide

Sources & evidence

ORD record
ord-b0e3a46aaa034835989207e0a4357fad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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