HRID208599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID3889514

未命名化合物

PRODUCTS

产物

HCID178421403

(17-hydroxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) 4-chlorobenzoate

C26H32ClNO3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e9d7f9badfab4476b813370ce48fa610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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