HRID2147663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8003

Pentane

C5H12

HCID8706

2-Aminobenzothiazole

C7H6N2S

HCID166653

Hydride

H-

HCID665568

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole

C7H13N3S

HCID854169

未命名化合物

PRODUCTS

生成物

HCID20501189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaec3c5ebbe3497abe4345448da96d37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:16](=[O:17])([O:18][CH2:19][CH3:20])[NH:21][c:22]1[s:23][c:24]2[c:25]([n:26]1)[cH:27][cH:28][cH:29][cH:30]2.[CH3:47][CH2:48][CH2:49][CH2:50][CH3:51].[ClH:1].[ClH:2].[H-:14].[NH2:31][c:32]1[s:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40]1.[NH2:3][CH2:4][CH2:5][S:6][CH2:7][c:8]1[n:9][cH:10][nH:11][c:12]1[CH3:13].[Na+:15].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[NH:3]([CH2:4][CH2:5][S:6][CH2:7][c:8]1[n:9][cH:10][nH:11][c:12]1[CH3:13])[C:16](=[O:17])[NH:21][c:22]1[s:23][c:24]2[c:25]([n:26]1)[cH:27][cH:28][cH:29][cH:30]2