HRID197970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8058

n-Hexane

C6H14

HCID166653

Hydride

H-

结构：O=C(c1ccc(F)cc1C(F)(F)F)N1Cc2cccnc2Nc2ccccc21

HCID15513330

未命名化合物

HCID178506239

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1C(F)(F)F)N1Cc2cccnc2Nc2ccccc21

HCID9827424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd485db8679544d387771f04e179fe77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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