HRID2123000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID554208

5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-amine

C8H6FN3S

HCID59591413

未命名化合物

PRODUCTS

生成物

结构：CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1

HCID24959464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f95f386fc3cb4d46a24089d33f15e02c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH2:28]([CH3:29])[NH:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][c:36]([F:44])[c:37]([F:43])[c:38]([C:39](=[O:40])[OH:41])[cH:42]1.[F:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[n:23][n:24][c:25]([NH2:27])[s:26]2)[cH:20][cH:21]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:5][n:6]1[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[n:13][n:14]1>>[F:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[n:23][n:24][c:25]([NH:27][C:39]([c:38]3[c:37]([F:43])[c:36]([F:44])[cH:35][c:34]([S:31]([NH:30][CH2:28][CH3:29])(=[O:32])=[O:33])[cH:42]3)=[O:40])[s:26]2)[cH:20][cH:21]1