4-(tert-Butyldimethylsilyloxy)cyclohexanone → 3-[({1-[4-(tert-Butyl-dimethyl-silanyloxy)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-amino]-5-trifluoromethyl-indazole-1-carboxylic acid tert-butylamide

HRID 94782Notes

Reaction equation

HRID 94782 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][NH:27][CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12.[C:30]([CH3:31])([CH3:32])([CH3:33])[Si:34]([O:35][CH:36]1[CH2:37][CH2:38][C:39](=[O:42])[CH2:40][CH2:41]1)([CH3:43])[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][N:27]([CH:39]3[CH2:38][CH2:37][CH:36]([O:35][Si:34]([C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:43])[CH3:44])[CH2:41][CH2:40]3)[CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12

Participants

3

Reactant 2

HCID 106094304-(tert-Butyldimethylsilyloxy)cyclohexanoneHCID 585488653-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-N-tert-butyl-5-(trifluoromethyl)indazole-1-carboxamide

Product 1

HCID 674789553-[({1-[4-(tert-Butyl-dimethyl-silanyloxy)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-amino]-5-trifluoromethyl-indazole-1-carboxylic acid tert-butylamide

Sources & evidence

ORD record
ord-74903aaf70e042cc98aa4e03d6e2b0e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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