HRID2151729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

结构：COC(=O)C1CCCN1C(=O)C(CC(C)C)Nc1nc(CCl)ns1

HCID178498076

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCCN1C(=O)C(CC(C)C)Nc1nc(CN2CCN(c3ccccn3)CC2)ns1

HCID18411508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa6d28f574b247c6bfec0ffc85179847
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:44].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:1][O:2][C:3]([CH:4]1[N:5]([C:9]([CH:10]([NH:11][c:12]2[n:13][c:14]([CH2:17][Cl:18])[n:15][s:16]2)[CH2:19][CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:6][CH2:7][CH2:8]1)=[O:24].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[n:25]1[c:26]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][O:2][C:3]([CH:4]1[N:5]([C:9]([CH:10]([NH:11][c:12]2[n:13][c:14]([CH2:17][N:34]3[CH2:33][CH2:32][N:31]([c:26]4[n:25][cH:30][cH:29][cH:28][cH:27]4)[CH2:36][CH2:35]3)[n:15][s:16]2)[CH2:19][CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:6][CH2:7][CH2:8]1)=[O:24]