HRID684992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6422

未命名化合物

结构：CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCC3COC(C)(C)O3)CCc3ccccc32)cc1

HCID178485848

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCC(O)CO)CCc3ccccc32)cc1

HCID178485849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7678536a87d4daf8577545c4cd0b2c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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