HRID666565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID4101

Methenamine

C6H12N4

HCID5943

Carbon tetrachloride

CCl4

HCID6212

Chloroform

CHCl3

HCID7187

Benzoyl peroxide

C14H10O4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID312733

5-methylthiophene-2-carbonitrile

C6H5NS

HCID10560016

5-(bromomethyl)thiophene-2-carbonitrile

C6H4BrNS

PRODUCTS

生成物

HCID12280004

5-formylthiophene-2-carbonitrile

C6H3NOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d99abf242daa460fbdb0d169421b1333
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:18][N:19]1[C:20](=[O:22])[CH2:23][CH2:24][C:25]1=[O:21].[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:8]#[N:9])[s:7]1.[C:26]([O:27][O:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)(=[O:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:54]([Cl:55])([Cl:56])([Cl:57])[Cl:58].[CH2:44]1[N:45]2[CH2:46][N:47]3[CH2:48][N:49]([CH2:50]2)[CH2:51][N:52]1[CH2:53]3.[CH3:10][c:11]1[s:12][c:13]([C:14]#[N:15])[cH:16][cH:17]1.[CH3:63][C:64](=[O:65])[OH:66].[CH:59]([Cl:60])([Cl:61])[Cl:62].[OH2:67]>>[CH:2]([c:3]1[cH:4][cH:5][c:6]([C:8]#[N:9])[s:7]1)=[O:21]