HRID1231561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID79471

Pyrimidine, 2,4-dichloro-6-methyl-

C5H4Cl2N2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID59178897

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(N2CCC(C3CCN(c4cc(C)nc(Cl)n4)CC3)CC2)cn1

HCID59178910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-486a2d479d8843ef808cdc0853026e0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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