HRID88561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID21265546

2,2,2-Trifluoroethane-1-sulfonamide

C2H4F3NO2S

结构：CC1=C(C(=O)c2ccco2)C(c2ccc(C#N)cc2)N(CC(=O)O)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59411320

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)c2ccco2)C(c2ccc(C#N)cc2)N(CC(=O)NS(=O)(=O)CC(F)(F)F)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59411347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b790ccc4c524c2ca0479815d2a649d7
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:31](=[O:32])[c:33]3[o:34][cH:35][cH:36][cH:37]3)=[C:11]([CH3:30])[N:12]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[C:13](=[O:19])[N:14]2[CH2:15][C:16](=[O:17])[OH:18])[cH:7][cH:8]1.[CH2:47]1[CH2:48][CH2:49][CH:50]([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61]1.[CH3:62][N:63]([CH3:64])[c:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1.[Cl:71][CH2:72][Cl:73].[F:38][C:39]([CH2:40][S:41](=[O:42])(=[O:43])[NH2:44])([F:45])[F:46]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:31](=[O:32])[c:33]3[o:34][cH:35][cH:36][cH:37]3)=[C:11]([CH3:30])[N:12]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[C:13](=[O:19])[N:14]2[CH2:15][C:16](=[O:17])[NH:44][S:41]([CH2:40][C:39]([F:38])([F:45])[F:46])(=[O:42])=[O:43])[cH:7][cH:8]1