HRID143773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID5328042

N4-(3-Bromophenyl)quinazoline-4,6-diamine

C14H11BrN4

HCID18548981

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1

HCID10277408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5965f67007249318f22190b21557cdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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