HCID 52911109, compound → HCID 86656528, compound

HRID 1540702Notes

Reaction equation

HRID 1540702 reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[N:42]1[CH:43]([CH2:49][OH:50])[CH2:44][CH:45]([NH:47][CH3:48])[CH2:46]1.[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:24])[N:18]=[C:19]([S:21][CH2:22][CH3:23])[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]>>[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:24])[N:18]=[C:19]([N:47]([CH:45]5[CH2:44][CH:43]([CH2:49][OH:50])[N:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[CH2:46]5)[CH3:48])[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]

Participants

3

Reactant 2

HCID 52911109HCID 52911109, compoundHCID 866545405-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

Product 1

HCID 86656528HCID 86656528, compound

Sources & evidence

ORD record
ord-9886d87070144fac98544a6c04cccaf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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