HRID1143936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID10891709

未命名化合物

结构：C=CCC(CC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(COC)c1ccccc1)C(C)C

HCID22950103

未命名化合物

PRODUCTS

生成物

结构：COCC(NC(=O)C(NC(=O)C(CC=Cc1ccc(-c2ccccc2)c(C)c1)CC(=O)OC(C)(C)C)C(C)C)c1ccccc1

HCID178496030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d605f99aba54d2fa6a02429c4ac2095
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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