HRID1202486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID16745126

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

C9H17NO3

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

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)(=O)=O)cc2F)CC1

HCID23653563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cdb7cdf3c954fdaa9d752e1b506a10d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:16][c:17]1[c:18]2[c:19]([n:20][cH:21][n:22]1)[N:23]([c:26]1[c:27]([F:36])[cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1)[CH2:24][CH2:25]2.[H-:2].[Na+:1].[OH2:37].[OH:3][CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH:13]([CH3:14])[CH3:15])[CH2:8][CH2:9]1>>[O:3]([CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH:13]([CH3:14])[CH3:15])[CH2:8][CH2:9]1)[c:17]1[c:18]2[c:19]([n:20][cH:21][n:22]1)[N:23]([c:26]1[c:27]([F:36])[cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1)[CH2:24][CH2:25]2