HRID1213256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID24813

Phosphoric trichloride

Cl3OP

结构：COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2c(O)c3ccccc3[nH]c2=O)cc1

HCID67098130

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2c(Cl)c3ccccc3[nH]c2=O)cc1

HCID67097584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6623b57fc1e843eea89935f037eff318
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][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[OH2:46].[OH:13][c:14]1[c:15]([C:25](=[O:26])[N:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)[c:16](=[O:24])[nH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12.[P:8]([Cl:9])([Cl:10])([Cl:11])=[O:12]>>[Cl:10][c:14]1[c:15]([C:25](=[O:26])[N:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)[c:16](=[O:24])[nH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12