HRID662236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

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+

HCID350042

4,4'-Dimethoxybenzhydrylamine

C15H17NO2

HCID86625389

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(NC(=O)c2cccc3sc(-c4nc(Cl)ncc4C)cc23)c2ccc(OC)cc2)cc1

HCID86625359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d9491c39c364852886fac7404a8fa53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([CH:38]([c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[NH2:47])[cH:36][cH:37]1.[CH3:78][CH2:79][O:80][CH2:81][CH3:82].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[n:12][cH:13][c:14]([CH3:29])[c:15](-[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[cH:22][cH:23][cH:24][c:25]3[C:26](=[O:27])[OH:28])[n:16]1.[Cl:75][CH2:76][Cl:77].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][P+:57]([N:58]([CH3:59])[CH3:60])([N:61]([CH3:62])[CH3:63])[N:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[Cl:10][c:11]1[n:12][cH:13][c:14]([CH3:29])[c:15](-[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[cH:22][cH:23][cH:24][c:25]3[C:26](=[O:28])[NH:47][CH:38]([c:35]2[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]2)[c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[n:16]1