HRID676495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)NC(C(=O)N1C(C)CCC1C(=O)O)C(C)C

HCID77287832

未命名化合物

结构：O=C(CBr)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O

HCID86688342

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1C(C)CCC1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O)C(C)C

HCID77699251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2974acb949634ebdad62c5c09ae3788e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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