Hydrochloric Acid → Dimethyl 2-(4-{2-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-ylmethyl]phenylamino}benzyl)malonate

HRID 1131584Notes

Reaction equation

HRID 1131584 reaction equation
[Br:19][c:20]1[c:21]([CH2:22][N:23]2[C:24](=[O:43])[N:25]([c:31]3[cH:32][c:33]([C:39]([F:40])([F:41])[F:42])[c:34]([C:35]#[N:36])[cH:37][cH:38]3)[C:26](=[O:30])[C:27]2([CH3:28])[CH3:29])[cH:44][cH:45][cH:46][cH:47]1.[ClH:1].[NH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([C:9](=[O:10])[O:11][CH3:12])[C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1>>[NH:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([C:9](=[O:10])[O:11][CH3:12])[C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1)[c:20]1[c:21]([CH2:22][N:23]2[C:24](=[O:43])[N:25]([c:31]3[cH:32][c:33]([C:39]([F:40])([F:41])[F:42])[c:34]([C:35]#[N:36])[cH:37][cH:38]3)[C:26](=[O:30])[C:27]2([CH3:28])[CH3:29])[cH:44][cH:45][cH:46][cH:47]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 152942223-(4-Aminophenyl)-2-carbomethoxypropanoic acid methyl esterHCID 581543464-[3-(2-Bromobenzyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile

Product 1

HCID 57829315Dimethyl 2-(4-{2-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-ylmethyl]phenylamino}benzyl)malonate

Sources & evidence

ORD record
ord-25bf81ffd7724794a6e210a303c80453
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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