HRID666029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID3153996

4-(4-Methylpiperazin-1-ylmethyl)phenylamine

C12H19N3

HCID68816492

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(NC(=O)C#Cc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1

HCID57845723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51ac882e78684c5c9cf2d4524ee112b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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