HRID94566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID4837

Piperazine

C4H10N2

HCID5215

Sulfadiazine

C10H10N4O2S

HCID6344

Dichloromethane

CH2Cl2

HCID9210

Quinazoline

C8H6N2

HCID10040

Thiophosgene

CCl2S

HCID31275

1,4-Dioxane

C4H8O2

HCID75799

Benzo-1,3-dioxole-5-methylamine

C8H9NO2

PRODUCTS

生成物

HCID312

Chloride

Cl-

HCID9210

Quinazoline

C8H6N2

HCID86601005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d7d7ef26364435bb5dd9ef98acc684
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:11]1[NH:12][CH2:13][CH2:14][NH:15][CH2:16]1.[CH2:17]([NH2:18])[c:19]1[cH:20][cH:21][c:22]2[c:26]([cH:27]1)[O:25][CH2:24][O:23]2.[Cl:45][C:46]([Cl:47])=[S:48].[Cl:61][CH2:62][Cl:63].[NH2:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[NH:38][c:39]2[n:40][cH:41][cH:42][cH:43][n:44]2)[cH:33][cH:34]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[cH:1]1[cH:2][cH:3][c:4]2[n:5][cH:6][n:7][cH:8][c:9]2[cH:10]1.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[Cl-:45].[NH:28]([c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[NH:38][c:39]2[n:40][cH:41][cH:42][cH:43][n:44]2)[cH:33][cH:34]1)[CH:46]=[S:48].[cH:1]1[cH:2][cH:3][c:4]2[n:5][cH:6][n:7][cH:8][c:9]2[cH:10]1