N,N-Dimethylbenzylamine → 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate

HRID 694289Notes

Reaction equation

HRID 694289 reaction equation
[C:32]([CH:33]=[CH:34][CH3:35])(=[O:36])[Cl:37].[CH2:22]([N:23]([CH3:24])[CH3:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([OH:21])[c:6]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[CH3:20])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:21][C:32]([CH:33]=[CH:34][CH3:35])=[O:36])[c:6]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[CH3:20])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1

Participants

5

Reactant 4

HCID 7681N,N-DimethylbenzylamineHCID 8900HeptaneHCID 790802-Butenoyl chlorideHCID 30324472,4-Dinitro-6-(octan-2-yl)phenol

Product 1

HCID 224982-(1-Methylheptyl)-4,6-dinitrophenyl crotonate

Sources & evidence

ORD record
ord-3a82433c6c254ef591aaa56afe283b1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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