HRID177940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID21996035

未命名化合物

HCID178527986

1-phenyltetrazole-5-thiol

C7H6N4S

PRODUCTS

生成物

HCID178437273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5d33fe258a7465e8dd39936d83d7852
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

[CH2:1]([CH3:2])[C:3]1([CH:7]([CH2:8][CH2:9][OH:10])[OH:11])[CH2:4][CH2:5][CH2:6]1.[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].[Cl-:44].[Na+:13].[OH-:12].[OH2:62].[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>>[CH2:1]([CH3:2])[C:3]1([CH:7]([CH2:8][CH2:9][S:36][c:35]2[n:31](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:32][n:33][n:34]2)[OH:11])[CH2:4][CH2:5][CH2:6]1