HRID120779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

结构：Cn1cc(C(=O)OC(C)(C)C)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21

HCID59369339

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21

HCID25204767

6-[4-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid

C28H27Cl2N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8cc22fa97f044e5ad82ca3901c7c513
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:1]([OH:2])=[O:3].[Cl:4][c:5]1[c:6](-[c:12]2[n:13][o:14][c:15]([CH:42]3[CH2:43][CH2:44]3)[c:16]2[CH2:17][O:18][CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]4[c:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:30][n:31]([CH3:34])[c:32]4[cH:33]3)[CH2:23][CH2:24]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1.[OH2:45]>>[Cl:4][c:5]1[c:6](-[c:12]2[n:13][o:14][c:15]([CH:42]3[CH2:43][CH2:44]3)[c:16]2[CH2:17][O:18][CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]4[c:29]([C:35](=[O:36])[OH:37])[cH:30][n:31]([CH3:34])[c:32]4[cH:33]3)[CH2:23][CH2:24]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1