HRID154942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

结构：Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)NN3CCC(NC(=O)c4ccccc4)CC3)ccc21

HCID22569882

未命名化合物

PRODUCTS

生成物

结构：Cn1c(CCc2ccc(C(=N)NC(=O)c3ccccc3)cc2)nc2cc(C(=O)NN3CCC(NC(=O)c4ccccc4)CC3)ccc21

HCID140457702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2567cb4e3fab437a8640749c9220b5e3
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[c:22]([n:23]([CH3:37])[c:24]([CH2:26][CH2:27][c:28]4[cH:29][cH:30][c:31]([C:34]([NH2:35])=[NH:36])[cH:32][cH:33]4)[n:25]3)[cH:38][cH:39]2)[CH2:14][CH2:15]1.[C:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:54])[Cl:55].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[c:22]([n:23]([CH3:37])[c:24]([CH2:26][CH2:27][c:28]4[cH:29][cH:30][c:31]([C:34](=[NH:35])[NH:36][C:47]([c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)=[O:54])[cH:32][cH:33]4)[n:25]3)[cH:38][cH:39]2)[CH2:14][CH2:15]1