HRID124426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID12899128

未命名化合物

结构：Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c2cccc(F)c2c(=O)n1NC(=O)OC(C)(C)C

HCID67297921

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c2cccc(F)c2c(=O)n1N(CCCF)C(=O)OC(C)(C)C

HCID67304002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d96fd13c5d045d9b2e8c850e9ce5e01
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

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