HRID142563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

2 次

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

HCID57904199

未命名化合物

结构：Cc1onc(-c2ccccc2)c1C(=O)NC1CCC(c2cccc(F)c2)(N(C)C)CC1

HCID66651535

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID66651535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c97ba60d7dba4f50994185c25c8ca5b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:86]([O:87][CH2:88][CH3:89])[CH3:90].[CH3:18][c:19]1[o:20][n:21][c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]1[C:30]([OH:31])=[O:32].[CH3:34][N:35]([C:36]1([c:57]2[cH:58][c:59]([F:63])[cH:60][cH:61][cH:62]2)[CH2:37][CH2:38][CH:39]([NH:42][C:43](=[O:44])[c:45]2[c:46](-[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[n:47][o:48][c:49]2[CH3:50])[CH2:40][CH2:41]1)[CH3:64].[CH3:70][C:71](=[O:72])[CH2:73][CH3:74].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH3:82][OH:83].[CH3:84][OH:85].[CH3:91][CH2:92][O:93][CH2:94][CH3:95].[Cl:65][Si:66]([CH3:67])([CH3:68])[CH3:69].[ClH:33].[F:1][c:2]1[cH:3][c:4]([C:5]2([N:6]([CH3:7])[CH3:8])[CH2:9][CH2:10][CH:11]([NH2:12])[CH2:13][CH2:14]2)[cH:15][cH:16][cH:17]1.[OH2:75]>>[CH3:34][N:35]([C:36]1([c:57]2[cH:58][c:59]([F:63])[cH:60][cH:61][cH:62]2)[CH2:37][CH2:38][CH:39]([NH:42][C:43](=[O:44])[c:45]2[c:46](-[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[n:47][o:48][c:49]2[CH3:50])[CH2:40][CH2:41]1)[CH3:64].[ClH:65]