HRID1237064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2733660

4-Bromo-1-(bromomethyl)-2-fluoro-benzene

C7H5Br2F

结构：CC(C)(C)OC(=O)Nc1cncc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

HCID69027928

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4ccc(Br)cc4F)C(=O)OC(C)(C)C)c3)CC2)c1)C(=O)OC(C)(C)C

HCID69033035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2889af2d79d44981b3deff1cb0e380a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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