Dimethylformamide → (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

HRID 1564436Notes

Reaction equation

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

Participants

Reactant 6

HCID 6228Dimethylformamide

HCID 9886Hexafluorophosphate

HCID 531671-Methylpiperazine

HCID 81531Diisopropylethylamine

HCID 826935-Chloro-1H-indole-2-carboxylic acid

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 4908365(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

Sources & evidence

ORD record: ord-d0f7091261a7445ab9c6aaec56ce9f6b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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