HRID1146119

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

HCID178468632

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C

HCID68884366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3e2216c889843b39974a6f4a11ccc94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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