Dichloromethane → trans-1-(3-Chloro-phenyl)-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-(4-hydroxy-cyclohexyl)-urea

HRID 314684Notes

Reaction equation

HRID 314684 reaction equation
[C:2]([Si:3]([CH3:4])([CH3:5])[O:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([N:16]([c:17]2[n:18](-[c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[n:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:33]2[cH:34][c:35]([Cl:39])[cH:36][cH:37][cH:38]2)=[O:40])[CH2:12][CH2:13]1)([CH3:6])([CH3:41])[CH3:42].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[Cl:43][CH2:44][Cl:45].[Cl:53][CH2:54][Cl:55].[FH:1]>>[OH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([N:16]([c:17]2[n:18](-[c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[n:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:33]2[cH:34][c:35]([Cl:39])[cH:36][cH:37][cH:38]2)=[O:40])[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6344Dichloromethane2×HCID 8900HeptaneHCID 14917Hydrofluoric AcidHCID 66905689trans-3-[4-(tert-Butyl-dimethyl-silanyloxy)-cyclohexyl]-1-(3-chloro-phenyl)-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-urea

Product 1

HCID 45111626trans-1-(3-Chloro-phenyl)-1-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-(4-hydroxy-cyclohexyl)-urea

Sources & evidence

ORD record
ord-fb48a3d3953c4f669f877f92beef1976
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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