HRID285376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID6348

Carbon disulfide

CS2

HCID9718

Benzenediazonim

C6H5N2+

HCID98285

1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid

C12H12N2O2

PRODUCTS

生成物

结构：O=C(O)C1Cc2c([nH]c3ccccc23)CN1C(=S)Sc1ccccc1

HCID13561960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6de14ab68498491295507e0a0c3abfee
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

[CH2:1]1[NH:2][CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21.[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][CH2:48][OH:49].[Cl-:19].[ClH:39].[N:35]([O-:36])=[O:37].[NH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Na+:18].[Na+:38].[OH-:17].[OH2:50].[S:40]=[C:41]=[S:42].[c:20]1([N+:26]#[N:27])[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH2:1]1[N:2]([C:41](=[S:40])[S:42][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH:3]([C:14](=[O:15])[OH:16])[CH2:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]21