HRID2144166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3301

Ethylenediamine

C2H8N2

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)Cl)CCC4(C)C3CCC12C

HCID541276

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

HCID304

Cholest-5-en-3-ol

C27H46O

HCID3301

Ethylenediamine

C2H8N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49872ea1dd674093b56b885a9fd44efe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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