HRID174210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2775663

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

C12H8F3NO2S

HCID68883087

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C

HCID68886696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c155cd05a6fa40358037894363c01947
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

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