HRID192875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2783122

1-(3,4-difluorophenyl)piperazine

C10H12F2N2

结构：COC(=O)C=Cc1cccc(F)c1N=C=Nc1cc(C(F)(F)F)ccc1OC

HCID72436574

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3ccc(F)c(F)c3)CC2)N1c1cc(C(F)(F)F)ccc1OC

HCID58824001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86fb0a36c709495690f14ea12bbcaa0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cl:43][CH2:44][Cl:45].[F:1][c:2]1[c:3]([N:14]=[C:15]=[N:16][c:17]2[c:18]([O:27][CH3:28])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[c:4]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH3:13])[cH:5][cH:6][cH:7]1.[F:29][c:30]1[cH:31][c:32]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:33][cH:34][c:35]1[F:36]>>[F:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[CH:8]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[N:16]([c:17]1[c:18]([O:27][CH3:28])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]1)[C:15]([N:40]1[CH2:39][CH2:38][N:37]([c:32]3[cH:31][c:30]([F:29])[c:35]([F:36])[cH:34][cH:33]3)[CH2:42][CH2:41]1)=[N:14]2