HRID150020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC1CN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1

HCID72490977

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1

HCID72490979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab47cce4e81c480c9cf097c3f7f02ffb
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-:30].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH3:29])[CH2:10][N:11]([C:14]2([C:27]#[N:28])[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1.[CH3:31][Mg+:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:45][OH:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH3:29])[CH2:10][N:11]([C:14]2([CH3:27])[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1