HRID2348777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID2757234

未命名化合物

HCID67045076

未命名化合物

PRODUCTS

生成物

结构：COC(C)C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC(NC(=O)OC(C)(C)C)C3)c12

HCID178495565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff1ea67189af4f4fa73010a1a694aff1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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