HRID691087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID9740

Cyanoacetic acid

C3H3NO2

HCID62406

未命名化合物

结构：O=C(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O

HCID1242235

[4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone

C29H24O7

PRODUCTS

生成物

结构：N#CCC(=O)OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1

HCID53827082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-881d150c460641629e03bcb72cd5063a
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

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