HRID1152285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14232

N-Methoxymethylamine

C2H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2734690

Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-

C6H14F3NO2S

结构：COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C(OC)C(=O)[O-])cc3)cn2)cc1

HCID58432100

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C(OC)C(=O)N(C)OC)cc3)cn2)cc1

HCID58432018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd9b5915f9604c55a164b9bac1246352
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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