HRID1572865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID28123

Tetrahydroborate

H4B-

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2C#N)n1

HCID58966493

未命名化合物

HCID178461628

未命名化合物

PRODUCTS

生成物

结构：CCC(N)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID58966576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ae559391b5245c2ade163f4997201fa
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

[BH4-:40].[Br-:36].[CH2:37]([CH3:38])[Mg+:39].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([C:17]#[N:18])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Na+:41].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:17]([NH2:18])[CH2:37][CH3:38])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]