HRID173255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID53486013

未命名化合物

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(OC)cc(C(=O)OC)c3)CC2)cc(OCC)c1F

HCID68458070

N-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester

C26H33FN2O6

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(OC)cc(C(=O)OC)c3)CC2)cc(OCC)c1-n1cccc1

HCID68457949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdb024e1d85d4a43b9e032ad53d5e1a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:55]([BH3-:56])#[N:57].[CH2:36]([O:37][c:38]1[cH:39][c:40]([CH:52]=[O:53])[cH:41][c:42]([O:43][CH2:44][CH3:45])[c:46]1-[n:47]1[cH:48][cH:49][cH:50][cH:51]1)[CH3:54].[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][c:19]([O:27][CH2:28][CH3:29])[c:20]([F:26])[c:21]([O:23][CH2:24][CH3:25])[cH:22]3)[CH2:14][CH2:15]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1)=[O:35].[CH3:68][CH2:69][OH:70].[CH3:71][C:72](=[O:73])[OH:74].[Na+:58]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][c:19]([O:27][CH2:28][CH3:29])[c:20](-[n:47]4[cH:48][cH:49][cH:50][cH:51]4)[c:21]([O:23][CH2:24][CH3:25])[cH:22]3)[CH2:14][CH2:15]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1)=[O:35]