HRID175948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4574913

未命名化合物

HCID16745126

Propan-2-yl 4-hydroxypiperidine-1-carboxylate

C9H17NO3

结构：CS(=O)(=O)c1ccc(-n2ncc3c(Cl)ncnc32)c(F)c1

HCID21897661

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1

HCID11705608

Propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C21H24FN5O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8795b52744e54f2bbf43b22dbe5924ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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