HRID668818

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-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID295763

2-methylpyrimidin-4-amine

C5H7N3

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1[N+](=O)[O-]

HCID12010541

未命名化合物

PRODUCTS

生成物

结构：Cc1nccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1

HCID22315081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d39627be5940450bbb42c06a56141103
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

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