HRID958659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1

HCID57815262

tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-fluoro-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

C28H34FN5O5

PRODUCTS

生成物

结构：O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1

HCID24866701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dbdd18186724660b096cf1aa2686f2b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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