Chloride → N-Cyclohexyl-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(3-pyridylmethyloxy)benzamide

HRID 94389

Reaction equation

HRID 94389 reaction equation
[CH2:56]([Cl:57])[Cl:58].[CH3:24][O:25][C:26]1=[C:31]([O:32][CH3:33])[C:30](=[O:34])[C:29]([CH2:35][c:36]2[cH:37][cH:38][c:39]([O:45][CH2:46][c:47]3[cH:48][n:49][cH:50][cH:51][cH:52]3)[c:40]([C:41](=[O:42])[OH:43])[cH:44]2)=[C:28]([CH3:53])[C:27]1=[O:54].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[Cl-:15].[Cl:16][CH:17]1[N:18]([CH3:19])[CH2:20][CH2:21][NH+:22]1[CH3:23].[NH2:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:55]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)[C:41]([c:40]1[c:39]([O:45][CH2:46][c:47]2[cH:48][n:49][cH:50][cH:51][cH:52]2)[cH:38][cH:37][c:36]([CH2:35][C:29]2=[C:28]([CH3:53])[C:27](=[O:54])[C:26]([O:25][CH3:24])=[C:31]([O:32][CH3:33])[C:30]2=[O:34])[cH:44]1)=[O:42]

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 7965CyclohexylamineHCID 8471TriethylamineHCID 220541715-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(3-pyridylmethyloxy)benzoic AcidHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-ium

Product 1

HCID 22054170N-Cyclohexyl-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(3-pyridylmethyloxy)benzamide

Sources & evidence

ORD record
ord-6e62175db4014e20b000eba6b9752455
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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