N,N-Dimethylglycine → Ethyl 6-chloro-7-(4-(4-chlorophenethylcarbamoyl)-2-methylphenoxy)chroman-4-carboxylate

HRID 1217115Notes

Reaction equation

HRID 1217115 reaction equation
[Br:1][c:2]1[c:3]([CH3:20])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:18][cH:19]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:38][N:39]([CH3:40])[CH2:41][C:42]([OH:43])=[O:44].[Cl:21][c:22]1[cH:23][c:24]2[c:29]([cH:30][c:31]1[OH:32])[O:28][CH2:27][CH2:26][CH:25]2[C:33](=[O:34])[O:35][CH2:36][CH3:37].[Cl:57][Cu:58].[Cs+:49].[Cs+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[c:2]1([O:32][c:31]2[c:22]([Cl:21])[cH:23][c:24]3[c:29]([cH:30]2)[O:28][CH2:27][CH2:26][CH:25]3[C:33](=[O:34])[O:35][CH2:36][CH3:37])[c:3]([CH3:20])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 673N,N-DimethylglycineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 62652Cuprous chlorideHCID 104967Cesium cation2×HCID 53393319Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylateHCID 670809004-bromo-N-(4-chlorophenethyl)-3-methylbenzamide

Product 1

HCID 67081163Ethyl 6-chloro-7-(4-(4-chlorophenethylcarbamoyl)-2-methylphenoxy)chroman-4-carboxylate

Sources & evidence

ORD record
ord-b12cd586d29043d7b7cd2cbf73fdbe2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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