HRID287503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID65561565

6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C10H12ClN3O

PRODUCTS

生成物

结构：O=C(NCCC1CC1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1

HCID11494414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5511844a4e044595858cdf0ab10bcfb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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