HRID281014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53397538

未命名化合物

结构：CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(N)Cc1ccc(OC(C)(C)C)cc1

HCID67075565

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CONC(=O)NCc1cccc2ccccc12

HCID87263406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3279b8239ef445499b598a8ee103143e
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

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