Chloride → N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-pyridyl)benzoyl]-4-methoxyaniline

HRID 109262

Reaction equation

HRID 109262 reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:17]([C:18](=[O:19])[OH:20])[cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([NH2:38])[cH:36][cH:37]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl-:46].[Cl:47][CH:48]1[N:49]([CH3:50])[CH2:51][CH2:52][NH+:53]1[CH3:54].[OH2:58]>>[CH3:1][O:2][C:3]1=[C:8]([O:9][CH3:10])[C:7](=[O:11])[C:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:17]([C:18](=[O:19])[NH:38][c:35]3[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]3)[cH:21]2)=[C:5]([CH3:28])[C:4]1=[O:29]

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 7732P-AnisidineHCID 8471TriethylamineHCID 219191145-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-pyridyl) benzoic acidHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-ium

Product 1

HCID 21919131N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(4-pyridyl)benzoyl]-4-methoxyaniline

Sources & evidence

ORD record
ord-58771414a12545a3bdaf5f2c0ad3f394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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