HRID2127713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15458

tert-Butyl acrylate

C7H12O2

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)C(C)O)c23)cc1

HCID58016943

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)C(C)OCCC(=O)OC(C)(C)C)c23)cc1

HCID25096416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf805802127a41ab9bf09474c7defbce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:30]([CH:31]=[CH2:32])(=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:11][c:12]3[n:13][cH:14][n:15][c:16]([O:18][CH:19]([CH:20]([CH3:21])[OH:22])[CH3:23])[c:17]23)[cH:7][cH:8]1.[OH2:39]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:11][c:12]3[n:13][cH:14][n:15][c:16]([O:18][CH:19]([CH:20]([CH3:21])[O:22][CH2:32][CH2:31][C:30](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH3:23])[c:17]23)[cH:7][cH:8]1