HRID938509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1669

4-(2-Aminoethyl)-2-methoxyphenol

C9H13NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID221275

(3,4-dichlorophenyl)(hydroxy)acetic acid

C8H6Cl2O3

PRODUCTS

生成物

结构：COc1cc(CCNC(=O)C(O)c2ccc(Cl)c(Cl)c2)ccc1O

HCID11773089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3147964611ff495db247e9ec2bfc900b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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