Toluene → 1-[5-(3,4,5-Trimethoxyphenyl)-2,4-pentadienoyl]-4-(methylaminocarbonylmethyl)-piperazine

HRID 142487

Reaction equation

HRID 142487 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][NH:33][C:34]([CH2:35][Cl:36])=[O:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:45]([Cl:46])([Cl:47])[Cl:48].[c:49]1([CH3:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([CH2:35][C:34]([NH:33][CH3:32])=[O:37])[CH2:23][CH2:24]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]

Participants

6

Reactant 5

HCID 1140Toluene2×HCID 6212ChloroformHCID 8471TriethylamineHCID 667732-chloro-N-methylacetamideHCID 539540541-[5-(3,4,5-Trimethoxyphenyl)-2,4-pentadienoyl]-piperazine

Product 1

HCID 544790041-[5-(3,4,5-Trimethoxyphenyl)-2,4-pentadienoyl]-4-(methylaminocarbonylmethyl)-piperazine

Sources & evidence

ORD record
ord-91889db86b6a4e0bbd5344aedf0c80f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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