HRID150369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID23148141

未命名化合物

HCID178527986

1-phenyltetrazole-5-thiol

C7H6N4S

PRODUCTS

生成物

HCID23148018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-496f95cbc9a740208e806885082f52ee
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

[Br-:44].[CH3:1][C:2]([CH2:3][CH2:4][OH:5])([CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[OH:11].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[Na+:13].[OH-:12].[S:14]([Cl:15])([c:16]1[cH:17][cH:18][c:19]([CH3:20])[cH:21][cH:22]1)(=[O:23])=[O:24].[c:25]1(-[n:31]2[n:32][n:33][n:34][c:35]2[SH:36])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][C:2]([CH2:3][CH2:4][S:36][c:35]1[n:31](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:32][n:33][n:34]1)([CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[OH:11]