HRID2332916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID78747

2-Aminopyrazine

C4H5N3

结构：O=C(O)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O

HCID70945342

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnccn1)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O

HCID70945235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a6d6847f2b5453386fc20bdee0fa299
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:47]([Cl:48])[Cl:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[N:11]2[C:12](=[O:24])[c:13]3[cH:14][cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[c:18]3[CH2:19]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:31].[Cl:25][C:26]([C:27]([Cl:28])=[O:29])=[O:30].[n:32]1[c:33]([NH2:38])[cH:34][n:35][cH:36][cH:37]1.[n:39]1[c:40]([CH3:41])[cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:38][c:33]2[n:32][cH:37][cH:36][n:35][cH:34]2)[N:11]2[C:12](=[O:24])[c:13]3[cH:14][cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[c:18]3[CH2:19]2)[CH2:2][CH2:3][CH2:4][CH2:5]1