Azepan-3-yl-methyl-amine → 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(3-methylamino-azepan-1-yl)-thiazol-4-one

HRID 140797

Reaction equation

HRID 140797 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:26])[N:19]=[C:20]([S:22][CH2:23][CH2:24][CH3:25])[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1.[NH:33]1[CH2:34][CH:35]([NH:40][CH3:41])[CH2:36][CH2:37][CH2:38][CH2:39]1>>[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:26])[N:19]=[C:20]([N:33]5[CH2:34][CH:35]([NH:40][CH3:41])[CH2:36][CH2:37][CH2:38][CH2:39]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1

Participants

3

Reactant 2

HCID 2756577Azepan-3-yl-methyl-amineHCID 672409345-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-propylsulfanyl-thiazol-4-one

Product 1

HCID 672390985-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(3-methylamino-azepan-1-yl)-thiazol-4-one

Sources & evidence

ORD record
ord-285384aee4af456f8fa6490db87e90eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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