HRID1129470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

HCID3715

Indomethacin

C19H16ClNO4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID25868

4-Aminobutanol

C4H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(CC(=O)NCCCCO)c(C)n2C(=O)c1ccc(Cl)cc1

HCID11853319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef0c496b2bf4dbab79daa4f5077ee27
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

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