HCID 67239506, compound → 4-{5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-2-hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester

HRID 99308Notes

Reaction equation

HRID 99308 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH:33]([CH2:44][OH:45])[CH2:34][N:35]([C:38]2=[N:42][C:41](=[O:43])[CH2:40][S:39]2)[CH2:36][CH2:37]1.[Cl:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[c:5]([CH2:6][n:7]2[n:8][c:9]([CH3:18])[c:10]3[cH:11][c:12]([CH:16]=[O:17])[cH:13][cH:14][c:15]23)[cH:19][cH:20]1>>[Cl:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[c:5]([CH2:6][n:7]2[n:8][c:9]([CH3:18])[c:10]3[cH:11][c:12]([CH:16]=[C:40]4[S:39][C:38]([N:35]5[CH2:34][CH:33]([CH2:44][OH:45])[N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]5)=[N:42][C:41]4=[O:43])[cH:13][cH:14][c:15]23)[cH:19][cH:20]1

Participants

3

Reactant 2

HCID 67239506HCID 67239506, compoundHCID 866545911-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazole-5-carbaldehyde

Product 1

HCID 672409394-{5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-2-hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a3852e5756ec4f3facfc31190f9ef7fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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