HRID1213696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)C(C)(C)O2)cc1

HCID44594468

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(c2ccc(O)cc2)=C(c2ccc(OCc3ccc4ccccc4n3)cc2)C1=O

HCID59354867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5d9d64dbf7d46fca9e2c31f66425845
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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