Dichloromethane → 3-((4-(4-Amino-3-(trifluoromethoxy)benzoyl)piperazin-1-yl)methyl)-N-tert-butyl-benzamide

HRID 109353

Reaction equation

HRID 109353 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[NH:27][C:28]([c:29]1[cH:30][c:31]([CH2:35][N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34]1)=[O:42].[CH2:1]([P:2]([OH:3])(=[O:4])[OH:5])[CH2:6][CH3:7].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:50][CH2:51][Cl:52].[NH2:8][c:9]1[c:10]([O:18][C:19]([F:20])([F:21])[F:22])[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]1>>[NH2:8][c:9]1[c:10]([O:18][C:19]([F:20])([F:21])[F:22])[cH:11][c:12]([C:13](=[O:15])[N:39]2[CH2:38][CH2:37][N:36]([CH2:35][c:31]3[cH:30][c:29]([C:28]([NH:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:42])[cH:34][cH:33][cH:32]3)[CH2:41][CH2:40]2)[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 204484Propylphosphonic acidHCID 27359514-amino-3-(trifluoromethoxy)benzoic AcidHCID 66877987N-tert-butyl-3-(piperazin-1-ylmethyl)benzamide

Product 1

HCID 579176403-((4-(4-Amino-3-(trifluoromethoxy)benzoyl)piperazin-1-yl)methyl)-N-tert-butyl-benzamide

Sources & evidence

ORD record
ord-bed07906d30a4ef3bad55393498cb1cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…