HRID1211652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate Ion

CO3-2

HCID66906

Piperazine, 1-(3-chloropropyl)-4-methyl-

C8H17ClN2

HCID22048123

未命名化合物

PRODUCTS

产物

HCID18186504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-61751d0dc2604d73ad48a42ab2d9adff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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