HRID309083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)CC2(C)CC(=O)O

HCID178457974

未命名化合物

PRODUCTS

生成物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)CC2(C)CC(=O)Nc1ccccc1

HCID173190690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3ecff147af44fdbb5dacd0d8b8fa375
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:20]([NH:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29](=[NH:30])[NH:31][C:32](=[O:33])[O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:27][cH:28]1)=[O:42])[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:18])[OH:19])[C:43](=[O:44])[O:45][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[NH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:20]([NH:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29](=[NH:30])[NH:31][C:32](=[O:33])[O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:27][cH:28]1)=[O:42])[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:19])[NH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[C:43](=[O:44])[O:45][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1