1-(4-fluorophenyl)-N-methylmethanamine → 2-{6-[(4-Difluoromethoxy-benzyl)-methyl-amino]-pyrazin-2-yl}-4-methyl-thiazole-5-carboxylic acid 4-fluoro-benzylamide

HRID 96748

Reaction equation

HRID 96748 reaction equation
[F:11][CH:12]([O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][NH:19][CH3:20])[cH:21][cH:22]1)[F:23].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH3:8])[cH:9][cH:10]1.[F:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][NH:30][C:31](=[O:32])[c:33]2[c:34]([CH3:45])[n:35][c:36](-[c:38]3[n:39][c:40]([I:44])[cH:41][n:42][cH:43]3)[s:37]2)[cH:46][cH:47]1>>[F:11][CH:12]([O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][N:19]([CH3:20])[c:40]2[n:39][c:38](-[c:36]3[n:35][c:34]([CH3:45])[c:33]([C:31]([NH:30][CH2:29][c:28]4[cH:27][cH:26][c:25]([F:24])[cH:47][cH:46]4)=[O:32])[s:37]3)[cH:43][n:42][cH:41]2)[cH:21][cH:22]1)[F:23]

Participants

4

Reactant 3

HCID 7368601-(4-fluorophenyl)-N-methylmethanamineHCID 3857668{[4-(Difluoromethoxy)phenyl]methyl}(methyl)amineHCID 866455582-(6-Iodo-pyrazin-2-yl)-4-methyl-thiazole-5-carboxylic acid 4-fluoro benzylamide

Product 1

HCID 249557652-{6-[(4-Difluoromethoxy-benzyl)-methyl-amino]-pyrazin-2-yl}-4-methyl-thiazole-5-carboxylic acid 4-fluoro-benzylamide

Sources & evidence

ORD record
ord-4e298bb6207b4791bf4f6610418bcd6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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