Dimethyl Sulfoxide → Methyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)-2-nitrophenoxy)-3-chlorophenyl)acetate

HRID 2326848Notes

Reaction equation

HRID 2326848 reaction equation
[CH3:42][S:43]([CH3:44])=[O:45].[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:5][cH:6][c:7]1[OH:8].[Cl:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][CH2:26][NH:27][C:28]([c:29]2[cH:30][c:31]([N+:36](=[O:37])[O-:38])[c:32]([Cl:35])[cH:33][cH:34]2)=[O:39])[cH:40][cH:41]1.[Cl:46][CH2:47][Cl:48].[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:5][cH:6][c:7]1[O:8][c:32]1[c:31]([N+:36](=[O:37])[O-:38])[cH:30][c:29]([C:28]([NH:27][CH2:26][CH2:25][c:24]2[cH:23][cH:22][c:21]([Cl:20])[cH:41][cH:40]2)=[O:39])[cH:34][cH:33]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 92625Methyl 3-chloro-4-hydroxyphenylacetateHCID 4810824N-(4-chlorophenethyl)-4-chloro-3-nitrobenzamide

Product 1

HCID 68468998Methyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)-2-nitrophenoxy)-3-chlorophenyl)acetate

Sources & evidence

ORD record
ord-467604753f5047ba8fca604e58697167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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