HRID1574308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7525

N-Ethylmorpholine

C6H13NO

HCID9964845

4-BROMO-2-METHYLBIPHENYL

C13H11Br

结构：C=CCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCc1ccccc1)C(C)(C)C

HCID22950108

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C=CCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCc2ccccc2)C(C)(C)C)ccc1-c1ccccc1

HCID178424949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-857dd2af316f4cc8a57df51cdac2243a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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