HRID287821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID271

Calcium ion

Ca+2

HCID5964

Benzyltrimethylammonium

C10H16N+

3 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID19660

Carbonate

CO3-2

结构：O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)ncn12

HCID58772839

未命名化合物

PRODUCTS

生成物

结构：O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(-c3ccc(Cl)cc3)ncn12

HCID58772848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3585a00a75a145faaf57ba6f88b150e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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