HRID1563883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CS(=O)(=O)c1ccc(N2CCc3c(Cl)ncnc32)c(F)c1

HCID42636822

4-Chloro-7-[2-fluoro-4-(methanesulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C13H11ClFN3O2S

HCID57708399

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N2CCC(Oc3ncnc4c3CCN4c3ccc(S(C)(=O)=O)cc3F)CC2)nc1

HCID58017021

4-[[1-(5-Ethyl-2-pyrimidinyl)-4-piperidinyl]oxy]-7-[2-fluoro-4-(methylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C24H27FN6O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab09fa5226a84e74aee7102553e797fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:24]([CH3:25])[c:26]1[cH:27][n:28][c:29]([N:32]2[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]2)[n:30][cH:31]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]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)[CH2:9][CH2:10]2.[H-:23].[Na+:22]>>[c:2]1([O:38][CH:35]2[CH2:34][CH2:33][N:32]([c:29]3[n:28][cH:27][c:26]([CH2:24][CH3:25])[cH:31][n:30]3)[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)[CH2:9][CH2:10]2