Citric Acid → 1-[4-(1-Carboethoxy-1-(3,4-methylenedioxyphenyl)methoxy)phenylmethyl]-3-carboethoxy-2-benzimidazolinone

HRID 675929Notes

Reaction equation

HRID 675929 reaction equation
[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:35]2[cH:36][c:37]3[c:38]([cH:39][cH:40]2)[O:41][CH2:42][O:43]3)[cH:44][cH:45]1.[C:16](=[O:17])([O-:18])[O-:19].[C:1](=[O:2])([O:3][CH2:4][CH3:5])[n:6]1[c:7](=[O:15])[nH:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2.[Cs+:20].[Cs+:21].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:51][C:52]([CH2:53][C:54]([C:55](=[O:56])[OH:57])([CH2:58][C:59](=[O:60])[OH:61])[OH:62])=[O:63]>>[C:1](=[O:2])([O:3][CH2:4][CH3:5])[n:6]1[c:7](=[O:15])[n:8]([CH2:23][c:24]2[cH:25][cH:26][c:27]([O:28][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:35]3[cH:36][c:37]4[c:38]([cH:39][cH:40]3)[O:41][CH2:42][O:43]4)[cH:44][cH:45]2)[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2

Participants

7

Reactant 6

HCID 311Citric AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 303857Ethyl 2-oxo-2,3-dihydro-1H-benzo[D]imidazole-1-carboxylateHCID 20089188Ethyl 2-(4-bromomethylphenoxy)-2-(3,4-methylenedioxyphenyl)acetate

Product 1

HCID 200891941-[4-(1-Carboethoxy-1-(3,4-methylenedioxyphenyl)methoxy)phenylmethyl]-3-carboethoxy-2-benzimidazolinone

Sources & evidence

ORD record
ord-f46b69c3b5144b8a902128c697a2426b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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