HRID303717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID67674

1-Bromo-2,4-difluorobenzene

C6H3BrF2

HCID2734637

1-(2,4-difluorophenyl)piperazine

C10H12F2N2

HCID69434374

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12

HCID44394716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5421612be76040078cdc708221634a44
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

[Br:51][c:52]1[cH:53][cH:54][c:55]([F:56])[cH:57][c:58]1[F:59].[CH2:45]1[NH:46][CH2:47][CH2:48][NH:49][CH2:50]1.[CH3:1][O:2][CH:3]([CH2:4][NH:5][c:6]1[n:7][c:8]2[n:9]([c:10]([NH2:12])[n:11]1)[n:13][c:14](-[c:16]1[o:17][cH:18][cH:19][cH:20]1)[n:15]2)[O:21][CH3:22].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:60][CH2:61][Cl:62].[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29].[F:31][c:32]1[c:33]([N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[cH:34][cH:35][c:36]([F:38])[cH:37]1.[OH2:30]>>[CH2:3]([CH2:4][NH:5][c:6]1[n:7][c:8]2[n:9]([c:10]([NH2:12])[n:11]1)[n:13][c:14](-[c:16]1[o:17][cH:18][cH:19][cH:20]1)[n:15]2)[N:42]1[CH2:41][CH2:40][N:39]([c:33]2[c:32]([F:31])[cH:37][c:36]([F:38])[cH:35][cH:34]2)[CH2:44][CH2:43]1