HRID2159555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15616431

1-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methanamine

C11H12N2O

结构：CCOC(=O)CCc1cn(Cc2ccc(C(=O)O)cc2)nc1-c1ccccc1

HCID69422832

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1ccccc1

HCID69424098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81156c26019241a486fad108c8c50ddd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:10][n:11]([CH2:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[cH:12]1.[CH3:29][c:30]1[c:31]([CH2:41][NH2:42])[n:32][c:33](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[o:34]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[OH2:43].[OH2:59].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:10][n:11]([CH2:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:42][CH2:41][c:31]3[c:30]([CH3:29])[o:34][c:33](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[n:32]3)[cH:21][cH:22]2)[cH:12]1