Benzene → 4-chloro-N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-2-nitrobenzamide

HRID 125137

Reaction equation

HRID 125137 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl-:14].[Cl:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:60][CH2:61][Cl:62].[NH2:19][CH:20]1[CH:21]([OH:37])[C:22]([CH3:35])([CH3:36])[O:23][c:24]2[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][c:29]21.[NH2:45][C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)=[O:53].[S:15]([Cl:16])([Cl:17])=[O:18].[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:8])[NH:19][CH:20]2[CH:21]([OH:37])[C:22]([CH3:35])([CH3:36])[O:23][c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][c:29]32)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 312ChlorideHCID 2331BenzamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 804754-Chloro-2-nitrobenzoic acidHCID 197898804-Amino-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-3-ol

Product 1

HCID 197532614-chloro-N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-2-nitrobenzamide

Sources & evidence

ORD record
ord-f59d1da5a1914500a4db8b5d1aceb9b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…