HRID2126450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

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+

结构：Cc1cc(C(=O)NC(C)c2cccc3ccccc23)cc(C)c1C(=O)O

HCID22661344

未命名化合物

HCID22661369

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CNC(=O)c1cccs1)NC(=O)c1c(C)cc(C(=O)NC(C)c2cccc3ccccc23)cc1C

HCID22661325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11dc6bfa719742458d309f07126958b4
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

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([CH3:26])[cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:10]1.[CH3:55][O:56][C:57]([CH:58]([NH2:59])[CH2:60][NH:61][C:62](=[O:63])[c:64]1[s:65][cH:66][cH:67][cH:68]1)=[O:69].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[Cl:79][CH2:80][Cl:81].[ClH:54].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:59][CH:58]([C:57]([O:56][CH3:55])=[O:69])[CH2:60][NH:61][C:62](=[O:63])[c:64]2[s:65][cH:66][cH:67][cH:68]2)[c:7]([CH3:26])[cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:10]1