HRID2343516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)NC1CC(NC(C)(C)C)CCC1N1CCC(N)C1=O

HCID67073895

未命名化合物

结构：[O-][n+]1cnc(Oc2ccccc2)c2cc(C(F)(F)F)ccc21

HCID68566376

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CC(NC(C)(C)C)CCC1N1CCC(Nc2nc[n+]([O-])c3ccc(C(F)(F)F)cc23)C1=O

HCID178474330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-772c089a0252480fb507a8cb7cfc573d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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