HRID674768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

结构：CC(C)(C)c1cc(C(=O)Nc2ccccc2N)cc(C(C)(C)C)c1O

HCID23370116

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(=O)Nc2ccccc2NC(=O)Oc2ccccc2)cc(C(C)(C)C)c1O

HCID23370104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-713b35bfa2554b8a839d45b47b0eb40d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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