HRID665250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81303

Pyrazinecarbonitrile, 6-chloro-

C5H2ClN3

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccc(F)cc2)OC1=O

HCID72344429

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cncc(C#N)n2)cc1)N1CCC(CC(C)(C)O)(c2ccc(F)cc2)OC1=O

HCID90706093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbae0de949d34ae0a284ce767db0987f
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

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