HRID113485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

结构：CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)OCc2ccccc2)CC1

HCID57904801

Ethyl 10-(((benzyloxy)carbonyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

C22H25N3O6

PRODUCTS

生成物

结构：O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)OCc1ccccc1

HCID57905202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62a297036cdc4721beac8e041f48ca16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]12[c:13]3[n:14]([c:21](=[O:31])[c:22]([OH:30])[c:23]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[n:24]3)[CH2:15][CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][CH2:49][OH:50].[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][NH2:40])[cH:37][cH:38]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]12[c:13]3[n:14]([c:21](=[O:31])[c:22]([OH:30])[c:23]([C:25](=[O:26])[NH:40][CH2:39][c:36]4[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]4)[n:24]3)[CH2:15][CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2