HRID1202726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID642834

4-chloropyrimidine

C4H3ClN2

HCID883934

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CCN(c2ccncn2)CC1)N1CCN(Cc2ccccc2)CC1

HCID18698066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3557f1857074da3a3b185f2aec2bdbd
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

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