HRID1205823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID271

Calcium ion

Ca+2

HCID887

Methanol

CH4O

HCID5964

Benzyltrimethylammonium

C10H16N+

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：Cc1nc(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID58772849

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(Cl)cc2)c(Br)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID58772843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-301dab924e40465797a7ccbdc2ab8e6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:35].[Br-:36].[Br-:37].[CH3:38][N+:39]([CH3:40])([CH3:41])[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][N+:50]([CH3:51])([CH3:52])[CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][N+:61]([CH3:62])([CH3:63])[CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:74][OH:75].[Ca+2:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11]([c:12]([CH3:14])[n:13]2)[c:15](=[O:29])[n:16]([CH2:18][c:19]2[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[n:17]3)[cH:6][cH:7]1.[Cl:71][CH2:72][Cl:73].[O-:31][C:32](=[O:33])[O-:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([Br:35])[c:10]3[n:11]([c:12]([CH3:14])[n:13]2)[c:15](=[O:29])[n:16]([CH2:18][c:19]2[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[n:17]3)[cH:6][cH:7]1