HRID165820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID9906257

tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate

C18H19BrO2

结构：CC(C)(CC(=O)NC1CCc2ccccc2NC1=O)NC(=O)OCc1ccccc1

HCID21836609

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)C1=O)NC(=O)OCc1ccccc1

HCID19918729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbb9a3d82347457787b2d812bec72e15
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-:54].[Br:33][CH2:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[c:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:43][cH:44][cH:45][cH:46]2)[cH:39][cH:40]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[NH:19][c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[H-:31].[Na+:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[N:19]([CH2:34][c:35]2[cH:36][cH:37][c:38](-[c:41]3[c:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:43][cH:44][cH:45][cH:46]3)[cH:39][cH:40]2)[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30]