HRID670264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)c1ccc(NCCc2cc(Br)ccc2OCc2ccccc2)nc1

HCID22675506

未命名化合物

PRODUCTS

生成物

结构：CCN(CCc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(=O)OC(C)(C)C)cn1

HCID22675480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a25306fc834f4f14b7a5a8b3c061bed9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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