HRID170129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID589223

5-chlorothiophene-2-carbonyl chloride

C5H2Cl2OS

反应SMILES：CC(C)(C)OC(=O)N1CCC(CCN2Cc3c(N)cccc3C2=O)CC1

HCID18440731

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(CCN2Cc3c(NC(=O)c4ccc(Cl)s4)cccc3C2=O)CC1

HCID18440729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fd34d5cadb7c43cd96a159cdc19f9d2f
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

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