HRID319120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53397501

未命名化合物

结构：CCOC(OCC)C(C)N(Cc1cccc2ccccc12)C(=O)C(N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178471477

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1cccc2ccccc12)C(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CN(C)NC(=O)NCc1ccc(Cl)cc1

HCID67088619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7be18453f27d44738aa6f18394b5ded8
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

[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[NH:10][N:11]([CH3:12])[CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[NH2:19][CH:20]([C:21](=[O:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12)[CH:35]([CH:36]([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])[CH3:43])[CH2:44][C:45](=[O:46])[NH:47][C:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[NH:10][N:11]([CH3:12])[CH2:13][C:14](=[O:16])[NH:19][CH:20]([C:21](=[O:22])[N:23]([CH2:24][c:25]2[cH:26][cH:27][cH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[CH:35]([CH:36]([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])[CH3:43])[CH2:44][C:45](=[O:46])[NH:47][C:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:17][cH:18]1