HRID1223050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

HCID12096045

未命名化合物

PRODUCTS

生成物

结构：COCCc1nc2c(N)nc3c(c2n1CCOCCNC(=O)c1ccccc1)CCCC3

HCID21936602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecac040918f54ab5973a4a0f1b30af8c
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

[C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)(=[O:39])[Cl:40].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:49][OH:50].[Cl:46][CH2:47][Cl:48].[NH2:1][CH2:2][CH2:3][O:4][CH2:5][CH2:6][n:7]1[c:8]([CH2:21][CH2:22][O:23][CH3:24])[n:9][c:10]2[c:11]([NH2:20])[n:12][c:13]3[c:18]([c:19]12)[CH2:17][CH2:16][CH2:15][CH2:14]3>>[NH:1]([CH2:2][CH2:3][O:4][CH2:5][CH2:6][n:7]1[c:8]([CH2:21][CH2:22][O:23][CH3:24])[n:9][c:10]2[c:11]([NH2:20])[n:12][c:13]3[c:18]([c:19]12)[CH2:17][CH2:16][CH2:15][CH2:14]3)[C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39]