HRID143293

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

HCID68882512

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C

HCID68885433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-164c3ae30acb470c8526261b9a91effc
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]([CH2:15][O:16][c:17]1[c:18]([CH3:29])[cH:19][cH:20][c:21]([CH:23]2[CH2:24][NH:25][CH2:26][CH2:27][CH2:28]2)[cH:22]1)=[O:30].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:42][c:43]1[n:44][c:45](-[c:51]2[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]2)[s:46][c:47]1[C:48](=[O:49])[OH:50].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][CH2:68][O:69][CH2:70][CH3:71]>>[CH2:11]([CH3:12])[O:13][C:14]([CH2:15][O:16][c:17]1[c:18]([CH3:29])[cH:19][cH:20][c:21]([CH:23]2[CH2:24][N:25]([C:48]([c:47]3[c:43]([CH3:42])[n:44][c:45](-[c:51]4[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]4)[s:46]3)=[O:49])[CH2:26][CH2:27][CH2:28]2)[cH:22]1)=[O:30]