HRID684508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID7914

Isopropyl ether

C6H14O

HCID274281

Diphenylmethyl acetate

C15H14O2

HCID53714353

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)S(=O)(=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccccc1

HCID53860911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24b5a4f14df34a2d94d804ec9bd480ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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