HRID143617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID166653

Hydride

H-

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID19626995

未命名化合物

HCID57421485

未命名化合物

PRODUCTS

生成物

结构：O=C1c2sc(-c3ccc(Cl)cc3)nc2CCN1c1ccc(OCCN2CCCC2)c(Cl)c1

HCID11497360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6815b7eb7c64c5ab036fa76d3fbe3a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:17][Al:18]([CH3:19])[CH3:20].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][S:46](=[O:47])(=[O:48])[Cl:49].[Cl:1][c:2]1[cH:3][c:4]([NH2:16])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[s:29][c:30]3[c:31]([n:32]2)[CH2:33][CH2:34][O:35][C:36]3=[O:37])[cH:26][cH:27]1.[Cl:52][CH2:53][Cl:54].[H-:51].[Na+:50].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4]([N:16]2[CH2:34][CH2:33][c:31]3[c:30]([s:29][c:28](-[c:25]4[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]4)[n:32]3)[C:36]2=[O:35])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1