HRID2151672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1cn(C)c2cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc12

HCID59369330

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-0ea5db1de6464bb688e5a1b3abd739d2
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

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