HRID2322431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

HCID520948

3-Fluoro-4-nitrophenol

C6H4FNO3

HCID2735919

Phenol, 4-amino-3-fluoro-

C6H6FNO

HCID21187203

2-Fluoro-1-iodo-4-methoxybenzene

C7H6FIO

结构：CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2S)CC1

HCID68682113

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Sc2ccc(F)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

HCID68685410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-374e510e924d48ab96b1773f138e2a5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[c:15]([SH:21])[cH:16][cH:17][c:18]([F:20])[cH:19]2)([OH:22])[CH2:12][CH2:13]1.[CH3:53][I:54].[F:23][c:24]1[c:25]([I:32])[cH:26][cH:27][c:28]([O:30][CH3:31])[cH:29]1.[F:33][c:34]1[cH:35][c:36]([OH:37])[cH:38][cH:39][c:40]1[N+:41]([O-:42])=[O:43].[NH2:44][c:45]1[cH:46][cH:47][c:48]([OH:49])[cH:50][c:51]1[F:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[c:15]([S:21][c:25]3[c:24]([F:23])[cH:29][c:28]([O:30][CH3:31])[cH:27][cH:26]3)[cH:16][cH:17][c:18]([F:20])[cH:19]2)([OH:22])[CH2:12][CH2:13]1