Ethyl Acetate → Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate

HRID 309743Notes

Reaction equation

HRID 309743 reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]=[CH:11][N+:12](=[O:13])[O-:14])[cH:6][cH:7][c:8]2[O:9]1.[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([C:23]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])=[O:30])[cH:21][cH:22]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[N:31]12[CH2:32][CH2:33][CH2:34][N:35]=[C:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]([CH2:11][N+:12](=[O:13])[O-:14])[CH:24]([C:23]([c:20]3[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]3)=[O:30])[C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:6][cH:7][c:8]2[O:9]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 76150Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl esterHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 949455-(2-Nitroethenyl)-1,3-benzodioxole

Product 1

HCID 10811775Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate

Sources & evidence

ORD record
ord-b4d3734114204da080d9adec7117acd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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