HRID209638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2775663

4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

C12H8F3NO2S

HCID54161376

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1COc1ccc(CCNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

HCID68869761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5be377246d354ee18701e5ee08c54557
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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