HRID666915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID10681562

[1-(tert-Butoxycarbonyl)piperidin-4-ylidene]acetic acid

C12H19NO4

HCID11492625

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C4CCN(C(=O)OC(C)(C)C)CC4)cc23)c1

HCID59382766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79cf4b450d4f49df9f76d9e9a812764d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][C:15](=[O:16])[OH:17])[CH2:12][CH2:13]1.[C:33](#[CH:34])[c:35]1[cH:36][c:37]([NH:41][c:42]2[n:43][cH:44][n:45][c:46]3[cH:47][cH:48][c:49]([NH2:52])[cH:50][c:51]23)[cH:38][cH:39][cH:40]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[Cl:18][C:19]([O:20][CH2:21][CH:22]([CH3:23])[CH3:24])=[O:25].[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][C:15](=[O:17])[NH:52][c:49]2[cH:48][cH:47][c:46]3[n:45][cH:44][n:43][c:42]([NH:41][c:37]4[cH:36][c:35]([C:33]#[CH:34])[cH:40][cH:39][cH:38]4)[c:51]3[cH:50]2)[CH2:12][CH2:13]1