HRID293175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID166653

Hydride

H-

结构：COC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID66932323

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc2c(c1)C(=O)N(Cc1ccccc1)C1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID66932364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0eb06c36d47d4de4b0574c68f958a302
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:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[NH:12][C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)=[O:29].[Cl-:40].[H-:31].[NH4+:41].[Na+:30].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[N:12]([CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)=[O:29]