HRID161317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID36336

1,4,7,10,13-Pentaoxacyclopentadecane

C10H20O5

HCID166653

Hydride

H-

HCID58349840

未命名化合物

结构：CN(Cc1c[nH]c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C

HCID67176761

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)c(F)c2-c2cccnc2F)c1

HCID67178433

1,1-Dimethylethyl N-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(4-methyl-2-pyridinyl)sulfonyl]-1H-pyrrol-3-yl]methyl]-N-methylcarbamate

C22H24F2N4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb66a751f8784a7c8bc5fbdfe0e762db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:26]1[O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH3:41][c:42]1[cH:43][c:44]([S:48](=[O:49])(=[O:50])[F:51])[n:45][cH:46][cH:47]1.[F:3][c:4]1[c:5]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:6][nH:7][c:8]1-[c:9]1[c:10]([F:15])[n:11][cH:12][cH:13][cH:14]1.[H-:1].[Na+:2].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:57]>>[F:3][c:4]1[c:5]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:6][n:7]([S:48]([c:44]2[cH:43][c:42]([CH3:41])[cH:47][cH:46][n:45]2)(=[O:49])=[O:50])[c:8]1-[c:9]1[c:10]([F:15])[n:11][cH:12][cH:13][cH:14]1