HRID113725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID64800

Benzenepropanoic acid, .alpha.-(phenylmethyl)-

C16H16O2

HCID81531

Diisopropylethylamine

C8H19N

结构：C=CC(CC(O)C(CC(C)C)NC(=O)C(N)Cc1c[nH]cn1)C(C)C

HCID178447073

未命名化合物

PRODUCTS

生成物

结构：C=CC(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C

HCID178447071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846cd7feac0d4bcd927d112615a04c2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]([C:43](=[O:44])[OH:45])[CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][C:54]#[N:55].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:20][c:21]1[n:22][cH:23][nH:24][cH:25]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:20][c:21]1[n:22][cH:23][nH:24][cH:25]1)[C:43]([CH:42]([CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)=[O:44]