HRID826375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

2 次

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14343

4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-

C11H9NO3

HCID12986256

未命名化合物

结构：Cc1onc(-c2ccccc2)c1C(=O)NC1CCC(c2ccccc2)(N(C)C)CC1

HCID66651401

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID66651401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-794d56b51f0d48ba81f736cc48319849
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:82]([O:83][CH2:84][CH3:85])[CH3:86].[CH3:17][c:18]1[o:19][n:20][c:21](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]1[C:29]([OH:30])=[O:31].[CH3:1][N:2]([CH3:3])[C:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:11][CH2:12][CH:13]([NH2:14])[CH2:15][CH2:16]1.[CH3:33][N:34]([C:35]1([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH2:36][CH2:37][CH:38]([NH:41][C:42](=[O:43])[c:44]2[c:45](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[n:46][o:47][c:48]2[CH3:49])[CH2:39][CH2:40]1)[CH3:62].[CH3:68][C:69](=[O:70])[CH2:71][CH3:72].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:80][OH:81].[CH3:87][CH2:88][O:89][CH2:90][CH3:91].[Cl:63][Si:64]([CH3:65])([CH3:66])[CH3:67].[ClH:32].[OH2:73]>>[CH3:33][N:34]([C:35]1([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH2:36][CH2:37][CH:38]([NH:41][C:42](=[O:43])[c:44]2[c:45](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[n:46][o:47][c:48]2[CH3:49])[CH2:39][CH2:40]1)[CH3:62].[ClH:63]