HRID1557415

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

HCID178428694

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1

HCID9824954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a78a39dfa80d4c49837a5ddf594d7fcb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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