HRID671846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID22449166

tert-Butyl methyl(piperidin-3-yl)carbamate

C11H22N2O2

结构：O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1cccnc1

HCID60205277

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1

HCID60205328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-264715a6e343408b95676907f7796cf2
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

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