HRID1125585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

2 次

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

HCID313

Hydrochloric Acid

ClH

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-16809312995d48fcbbacd1bda6d51e80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:40]([OH:41])[CH3:42].[CH3:44][CH2:45][OH:46].[ClH:43].[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>>[ClH:43].[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