HRID2162089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID61697

Bromine chloride (BrCl)

BrCl

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID69312488

未命名化合物

HCID178503715

未命名化合物

PRODUCTS

生成物

结构：CSCCC(NC(=O)c1ccc(C(=O)N2CCCC2)c(Br)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178503732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5562fb0b6ee94301b0fb1955a597920c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[Br: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.[Br:65][Cl:66].[CH2:72]([OH:73])[CH3:74].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][CH2:59][S:60][CH3:61])[NH2:62])[n:56]2)[cH:63][cH:64]1.[Cl:75][CH2:76][Cl:77].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]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>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:62][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:64][cH:63]3)[n:56]2)[CH2:58][CH2:59][S:60][CH3:61])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1