HRID701958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)n(CCOS(C)(=O)=O)n1

HCID86634307

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)n(CCN2CCOCC2)n1

HCID57863423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61a1b2f369e443a990c102e8003e3aa8
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

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