HRID153696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

结构：CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1

HCID9798987

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc3)cc2)cc1

HCID15432519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5474d87ea1c84463b771f87151d663b8
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

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