HRID193686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc12

HCID178485244

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnn(Cc5ccccc5)n4)c3)cc12

HCID59275712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfb0e90c5fe44241a15a001c8abdf919
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

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