HRID173574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID74404

2-Chloropyrimidine

C4H3ClN2

结构：NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1

HCID19380973

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc2c(c1)C1(CN3CCC(Nc4ncccn4)CC3)CC2c2ccccc21

HCID19381010

2-Pyrimidinamine, N-[1-[(2-chloro-9,10-dihydro-9,10-methanoanthracen-9-yl)methyl]-4-piperidinyl]-

C25H25ClN4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f603145ef10f4290aa2d06da98060b79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[Cl:25][c:26]1[n:27][cH:28][cH:29][cH:30][n:31]1.[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][C:9]23[c:10]4[cH:11][cH:12][cH:13][cH:14][c:15]4[CH:16]([c:17]4[cH:18][cH:19][c:20]([Cl:23])[cH:21][c:22]42)[CH2:24]3)[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][C:9]23[c:10]4[cH:11][cH:12][cH:13][cH:14][c:15]4[CH:16]([c:17]4[cH:18][cH:19][c:20]([Cl:23])[cH:21][c:22]42)[CH2:24]3)[CH2:6][CH2:7]1)[c:26]1[n:27][cH:28][cH:29][cH:30][n:31]1