HRID1547000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6276

1-Pentanol

C5H12O

HCID5328829

未命名化合物

HCID10636207

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc(Nc3ccc(C)cc3)c2cc1OC

HCID9937942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88fb2901df7b4e1ea6eb12c205bc1d19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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