HRID2345088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

结构：CC=Cc1cc(C(=O)O)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID66598896

未命名化合物

PRODUCTS

生成物

结构：CC=Cc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID91180858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0dfd0d5f32646cca2bf40b88125d8f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]=[CH:24][CH3:25])[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH3:26][C:27](=[O:28])[CH3:29].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[F:30][c:31]1[c:32]([F:41])[c:33]([F:40])[c:34]([F:39])[c:35]([F:38])[c:36]1[OH:37].[OH2:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]=[CH:24][CH3:25])[cH:16][c:17]([C:18]([O:19][c:36]3[c:31]([F:30])[c:32]([F:41])[c:33]([F:40])[c:34]([F:39])[c:35]3[F:38])=[O:20])[cH:21][cH:22]2)[CH2:12][CH2:13]1