HRID101239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12068686

未命名化合物

HCID178463376

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC(C)c2nc3cc(Br)ccc3[nH]2)ccc1C(=O)N1CCCC1

HCID178427044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bce0b1d75a5b43e6917ab2cf5ad67074
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[Br:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH3:58])[NH2:59])[n:56]2)[cH:60][cH:61]1.[Br:62].[CH2:68]([OH:69])[CH3:70].[CH2:71]([Cl:72])[Cl:73].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:59][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Br:49])[cH:61][cH:60]3)[n:56]2)[CH3:58])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1