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

HRID 101558

Reaction equation

HRID 101558 reaction equation
[CH2:60]([Cl:61])[Cl:62].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:28][O:29][C:30]1=[C:35]([O:36][CH3:37])[C:34](=[O:38])[C:33]([CH2:39][c:40]2[cH:41][cH:42][c:43]([O:49][CH2:50][c:51]3[cH:52][n:53][cH:54][cH:55][cH:56]3)[c:44]([C:45](=[O:46])[OH:47])[cH:48]2)=[C:32]([CH3:57])[C:31]1=[O:58].[Cl-:19].[Cl:20][CH:21]1[N:22]([CH3:23])[CH2:24][CH2:25][NH+:26]1[CH3:27].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1)([F:10])[F:11].[OH2:59]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:45]([c:44]2[c:43]([O:49][CH2:50][c:51]3[cH:52][n:53][cH:54][cH:55][cH:56]3)[cH:42][cH:41][c:40]([CH2:39][C:33]3=[C:32]([CH3:57])[C:31](=[O:58])[C:30]([O:29][CH3:28])=[C:35]([O:36][CH3:37])[C:34]3=[O:38])[cH:48]2)=[O:46])[cH:8][cH:9]1)([F:10])[F:11]

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 99644-(Trifluoromethyl)anilineHCID 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 22054299N-[5-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-(3-pyridylmethyloxy)benzoyl]-4-trifluoromethylaniline

Sources & evidence

ORD record
ord-bd05c22f36cc43908c25659673cf6719
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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