HRID1122920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：CC(C)(C)N1CCCC1C(=O)NCC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2cc(C(=O)OCc3ccccc3)ccc2c1

HCID178448449

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CCCC1C(=O)NCC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2cc(C(=O)O)ccc2c1

HCID178448450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c064f3d909a4c15870e2bb99a63cb7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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