HRID285286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID12430676

2-Bromo-1-(2-methylphenyl)ethan-1-one

C9H9BrO

结构：Cc1ccc2c(c1)NC(=O)C(NC(=O)OC(C)(C)C)CN2C(=O)c1ccco1

HCID21201867

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(NC(=O)OC(C)(C)C)CN2C(=O)c1ccco1

HCID21201605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0352b57002034f06bfeba62836011d49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:50].[Br:29][CH2:30][C:31](=[O:32])[c:33]1[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]1.[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:42].[Na+:41].[O:1]=[C:2]1[CH:3]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:4][N:5]([C:14](=[O:15])[c:16]2[o:17][cH:18][cH:19][cH:20]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:40]>>[O:1]=[C:2]1[CH:3]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:4][N:5]([C:14](=[O:15])[c:16]2[o:17][cH:18][cH:19][cH:20]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:30][C:31](=[O:32])[c:33]1[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]1