HRID1568274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2763210

2-Bromo-5-thiazolecarboxylic acid

C4H2BrNO2S

HCID71208398

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(Br)s1

HCID71208954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-667c6abdd07246ed9611ecd5d5fa4ce3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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