1,2-Dichloroethane → 3-Chloro-4-{3-[2-(4-chloro-phenyl)-5,6-difluoro-2H-indazol-3-yl]-3-cyclohexyl-ureido}-benzoic acid methyl ester

HRID 283119Notes

Reaction equation

HRID 283119 reaction equation
[CH3:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:38])[c:32]([N:35]=[C:36]=[O:37])[cH:33][cH:34]1)=[O:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([F:25])[c:13]([F:24])[cH:14][c:15]3[c:16]2[NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1.[Cl:47][CH2:48][CH2:49][Cl:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([F:25])[c:13]([F:24])[cH:14][c:15]3[c:16]2[N:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:36]([NH:35][c:32]2[c:31]([Cl:38])[cH:30][c:29]([C:28]([O:27][CH3:26])=[O:39])[cH:34][cH:33]2)=[O:37])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 8471TriethylamineHCID 66905283[2-(4-Chloro-phenyl)-5,6-difluoro-2H-indazol-3-yl]-cyclohexyl-amineHCID 866402623-Chloro-4-isocyanato-benzoic acid methyl ester

Product 1

HCID 669058723-Chloro-4-{3-[2-(4-chloro-phenyl)-5,6-difluoro-2H-indazol-3-yl]-3-cyclohexyl-ureido}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-303d449ae2ab40118106c4befca09830
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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