HRID292820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID10999135

未命名化合物

结构：COC(=O)C1CN(Cc2ccc(-c3noc(-c4ccc(CC(C)C)c(F)c4)n3)cn2)C1

HCID68523745

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)nc3)no2)cc1F

HCID11978280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8731f50750994422b62653d2f63f0507
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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