HRID201205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7969

Benzenethiol

C6H6S

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCc2c(n(CCO)c3ccccc23)CC1

HCID22396751

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(n(CCSc3ccccc3)c3ccccc23)CC1

HCID22396645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f17c4f9614a450d8e86ef9953fb76d8
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

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