HRID1120376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID23073547

3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

C13H17BrN2O2

HCID23145839

4-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

C15H14N6

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID9985538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eee46bcf591e4d12ac82e3aa64c9f320
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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