HRID676519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID22252681

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N)C(C(=O)N2CCCC(Cc3ccc(F)cc3)C2)C1

HCID77706926

未命名化合物

PRODUCTS

生成物

结构：Cn1nnnc1-c1cccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2C(=O)N2CCCC(Cc3ccc(F)cc3)C2)c1

HCID77706716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7e496cd42d4439ba8e7b3ea9a296657
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][CH:10]([C:15](=[O:16])[N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH2:14])[CH2:12][CH2:13]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[c:31]1([O:37][C:38](=[O:32])[NH:39][c:40]2[cH:41][c:42](-[c:46]3[n:47][n:48][n:49][n:50]3[CH3:51])[cH:43][cH:44][cH:45]2)[cH:33][cH:34][cH:35][cH:36][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:15](=[O:16])[N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH:14][C:38](=[O:37])[NH:39][c:40]2[cH:41][c:42](-[c:46]3[n:47][n:48][n:49][n:50]3[CH3:51])[cH:43][cH:44][cH:45]2)[CH2:12][CH2:13]1