HRID693414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

HCID1140

Toluene

C7H8

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID33479

Benzoic acid, 4-pentyl-

C12H16O2

HCID2736978

2,3-Difluoro-4-hydroxybenzonitrile

C7H3F2NO

PRODUCTS

生成物

结构：CCCCCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2F)cc1

HCID14495627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a206b4d96ac4dcda2aa72728259ebf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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