HRID290104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID20707

Benzoxazol-2-amine

C7H6N2O

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1C#N

HCID12069499

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccccc3o2)cc1C#N

HCID10203458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1719093a01254101aa1aa45a1b208383
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH3:12].[CH2:68]([Cl:69])[Cl:70].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[ClH:67].[NH2:57][c:58]1[o:59][c:60]2[c:61]([n:62]1)[cH:63][cH:64][cH:65][cH:66]2.[OH2:71].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][P+:39]([N:40]([CH3:41])[CH3:42])([N:43]([CH3:44])[CH3:45])[N:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:13]([C:14](=[O:15])[NH:57][c:58]2[o:59][c:60]3[c:61]([n:62]2)[cH:63][cH:64][cH:65][cH:66]3)[CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH3:12]