HRID94697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CNC(=O)N2C)cc1)Oc1ccccc1F

HCID68867329

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3ccccc3)C(=O)N2C)cc1)Oc1ccccc1F

HCID68867323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f740470be25f405c949589871a6468e0
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:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH2:44]([N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH2:9]([CH3:10])[O:11][C:12]([C:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH:24]2[N:25]([CH3:30])[C:26](=[O:29])[NH:27][CH2:28]2)[cH:19][cH:20]1)([CH3:31])[O:32][c:33]1[c:34]([F:39])[cH:35][cH:36][cH:37][cH:38]1)=[O:40].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[H-:41].[I-:43].[Na+:42]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:27]1[C:26](=[O:29])[N:25]([CH3:30])[CH:24]([CH2:23][CH2:22][O:21][c:18]2[cH:17][cH:16][c:15]([CH2:14][C:13]([C:12]([O:11][CH2:9][CH3:10])=[O:40])([CH3:31])[O:32][c:33]3[c:34]([F:39])[cH:35][cH:36][cH:37][cH:38]3)[cH:20][cH:19]2)[CH2:28]1