HRID1153289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID297365

1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene

C11H15BrO2

结构：CC(C)c1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)cc1

HCID21961355

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c(C)c(OC)c(C(O)(c2ccc(C(C)C)cc2)C2CCN(Cc3ccccc3)CC2)c1C

HCID22238283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea540f87972a478fa34c2aa4fe86d5a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:6][c:7]1[c:8]([O:18][CH3:19])[c:9]([CH3:17])[c:10]([CH3:16])[c:11]([O:14][CH3:15])[c:12]1[CH3:13].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[CH2:28][CH2:29][CH:30]([C:33]([c:34]2[cH:35][cH:36][c:37]([CH:40]([CH3:41])[CH3:42])[cH:38][cH:39]2)=[O:43])[CH2:31][CH2:32]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:44]>>[c:7]1([C:33]([CH:30]2[CH2:29][CH2:28][N:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:32][CH2:31]2)([c:34]2[cH:35][cH:36][c:37]([CH:40]([CH3:41])[CH3:42])[cH:38][cH:39]2)[OH:43])[c:8]([O:18][CH3:19])[c:9]([CH3:17])[c:10]([CH3:16])[c:11]([O:14][CH3:15])[c:12]1[CH3:13]