HRID1547462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID59811914

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1cc(I)c2cc(N3CCOCC3)cnc21

HCID67051512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0893dd94c1a644ecbe97f0144962e203
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:59][OH:60].[Cl:56][CH2:57][Cl:58].[I:13][c:14]1[cH:15][nH:16][c:17]2[n:18][cH:19][c:20]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:21][c:22]12.[Na+:12].[Na+:33].[O-:29][C:30]([OH:31])=[O:32].[OH-:11].[S:34]([O-:35])([OH:36])(=[O:37])=[O:38].[c:1]1([S:7](=[O:8])(=[O:9])[Cl:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:16]2[cH:15][c:14]([I:13])[c:22]3[c:17]2[n:18][cH:19][c:20]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[cH:21]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1