HRID161234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7721

Benzene, 1-(bromomethyl)-4-methyl-

C8H9Br

HCID7914

Isopropyl ether

C6H14O

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

HCID67420208

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(OCc3ccc(C)cc3)C(C)(C)O4)CC2)cc1

HCID18456042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f31f85a8ba6436091e53b22082f39c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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