proline dl-form → 1-[5-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid

Reaction equation

[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[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:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1.[NH:32]1[CH:33]([C:37](=[O:38])[OH:39])[CH2:34][CH2:35][CH2:36]1>>[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[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:25])[N:19]=[C:20]([N:32]5[CH:33]([C:37](=[O:38])[OH:39])[CH2:34][CH2:35][CH2:36]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1

Participants

Reactant 2

HCID 614proline dl-form

HCID 672401235-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

Product 1

HCID 672398611-[5-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid

Sources & evidence

ORD record: ord-5ab9301fb80b4ddfb0a2617dd50aade7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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