HRID199601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID610297

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole

C10H7Cl2NS

HCID178510490

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1cncs1

HCID44229643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8438417a8ada4feb83644f7a81a407f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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