HRID110180

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

HCID76566

Benzenesulfonamide, p-cyano-

C7H6N2O2S

结构：CC1=C(C(=O)C2CC2)C(c2ccc(C#N)cc2)N(CC(=O)O)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684871

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)C2CC2)C(c2ccc(C#N)cc2)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b02ff22382814ab89ff87833241e61c4
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])[CH:33]3[CH2:34][CH2:35]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.[C:51](#[N:52])[c:53]1[cH:54][cH:55][c:56]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:57][cH:58]1.[CH2:36]1[CH2:37][CH2:38][CH:39]([N:40]=[C:41]=[N:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:49][CH2:50]1.[CH3:63][N:64]([CH3:65])[c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[Cl:72][CH2:73][Cl:74]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:31](=[O:32])[CH:33]3[CH2:34][CH2:35]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:62][S:59]([c:56]2[cH:55][cH:54][c:53]([C:51]#[N:52])[cH:58][cH:57]2)(=[O:60])=[O:61])[cH:7][cH:8]1