HRID307170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

HCID15839551

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4ccccc43)CC2)CC1

HCID22745306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4951adda3b1440fab0816b9db85cf8ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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