HRID87988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID23282813

tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate

C12H22N2O2

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nnc(-c2ccccc2)o1

HCID59471994

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CCN(c3cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(-c4nnc(-c5ccccc5)o4)n3)C2)C1

HCID66744439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84260b505f81425cba65c22f933dd394
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

[Br:1][c:2]1[n:3][c:4](-[c:23]2[o:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:26][n:27]2)[c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1.[CH2:34]1[CH2:35][N:36]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:37][C:38]12[CH2:39][NH:40][CH2:41][CH2:42]2.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[c:2]1([N:40]2[CH2:39][C:38]3([CH2:34][CH2:35][N:36]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:37]3)[CH2:42][CH2:41]2)[n:3][c:4](-[c:23]2[o:24][c:25](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:26][n:27]2)[c:5]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1