HRID1562284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID3604460

Tert-butyl 2-hydroxypropanoate

C7H14O3

HCID13563136

未命名化合物

结构：NC(Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)C(=O)OCc1ccccc1

HCID67154132

未命名化合物

PRODUCTS

生成物

HCID13563136

未命名化合物

结构：CC(NC(Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

HCID67163255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4be1cec4f7d74bd3ab9e04f9698185c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[OH:9])=[O:10].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43]([CH:44]([CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[c:53]([Cl:59])[cH:54][cH:55][c:56]([Cl:58])[cH:57]2)[cH:50][cH:51]1)[NH2:60])=[O:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Cl:86][CH2:87][Cl:88].[ClH:34].[F:11][C:12]([S:13]([O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])(=[O:22])=[O:23])([F:24])[F:25].[F:69][C:70]([S:71](=[O:72])(=[O:73])[O:74][CH:75]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH3:83])([F:84])[F:85].[n:26]1[c:27]([CH3:28])[cH:29][cH:30][cH:31][c:32]1[CH3:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH3:8])[NH:60][CH:44]([C:43]([O:42][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:61])[CH2:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[c:53]([Cl:59])[cH:54][cH:55][c:56]([Cl:58])[cH:57]2)[cH:50][cH:51]1)=[O:10].[F:69][C:70]([S:71](=[O:72])(=[O:73])[O:74][CH:75]([C:76](=[O:77])[O:78][C:79]([CH3:80])([CH3:81])[CH3:82])[CH3:83])([F:84])[F:85]