Diisopropylethylamine → 4-(3-Chloro-4-fluoro-phenyl)-6-[4-(3-methyl-5-nitro-pyridin-2-yl)-piperazin-1-yl]-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine

HRID 1553796Notes

Reaction equation

HRID 1553796 reaction equation
[CH3:22][c:23]1[c:24]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[n:25][cH:26][c:27]([N+:29](=[O:30])[O-:31])[cH:28]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][c:4]([N:16]2[CH:17]([CH3:21])[CH2:18][CH2:19][CH2:20]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([F:14])[cH:12][cH:13]2)[cH:7]1>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([c:24]3[c:23]([CH3:22])[cH:28][c:27]([N+:29](=[O:30])[O-:31])[cH:26][n:25]3)[CH2:37][CH2:36]2)[n:3][c:4]([N:16]2[CH:17]([CH3:21])[CH2:18][CH2:19][CH2:20]2)[n:5][c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([F:14])[cH:12][cH:13]2)[cH:7]1

Participants

4

Reactant 3

HCID 81531DiisopropylethylamineHCID 566870601-(3-Methyl-5-nitropyridin-2-yl)piperazineHCID 866495774-Chloro-6-(3-chloro-4-fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine

Product 1

HCID 114971584-(3-Chloro-4-fluoro-phenyl)-6-[4-(3-methyl-5-nitro-pyridin-2-yl)-piperazin-1-yl]-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine

Sources & evidence

ORD record
ord-6c2ad4e83a274774ab73be90477bb377
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…