HRID189731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CCC(C)C(N)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(C)C(=O)NCc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)OCc1ccccc1)C2(C)C

HCID178446669

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(N)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(C)C(=O)NCc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C

HCID178446668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c8a09500c4744d6883f595830a7eb29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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