HRID2159809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3ccc(F)cc3)CC2)N1c1cc(C(F)(F)F)ccc1OC

HCID58823999

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1N1C(N2CCN(c3ccc(F)cc3)CC2)=Nc2c(F)cccc2C1CC(=O)O

HCID18444429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0506269de62440f49039c6d82caacc05
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

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