HRID93755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID228349

N-Methylhomopiperazine

C6H14N2

结构：COc1cc2nc(-c3cccc(-c4ccccc4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCCl

HCID59361996

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(-c3cccc(-c4ccccc4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCN1CCCN(C)CC1

HCID56949466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b41f97a147c6426f837571162997bd86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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