HRID120257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7805

4-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)O4)CC2)cc1

HCID22935595

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3ccc(C)cc3)C(C)(C)O4)CC2)cc1

HCID10277883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-365a440a668c4bf3899a8fe4a0e80a39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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