HRID2339053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID9961787

1-[2-(benzimidazol-2-ylthio)ethyl]piperazine

C13H18N4S

HCID22247149

未命名化合物

PRODUCTS

生成物

结构：CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1

HCID9892288

4-[2-(1H-Benzimidazol-2-ylthio)ethyl]-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-1-piperazineacetamide

C23H30N6OS3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-887b58eb696a4bc49a00907072247542
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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