HRID1537492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46901091

未命名化合物

HCID86647899

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2SC)cn1

HCID44133015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5af42c1398444d8da4df123418a33c0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[n:27][n:28](-[c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[n:38][cH:39]2)[c:29]([N:31]=[C:32]=[O:33])[cH:30]1.[NH2:1][c:2]1[c:3]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[cH:18][cH:19]1>>[NH:1]([c:2]1[c:3]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[cH:18][cH:19]1)[C:32]([NH:31][c:29]1[n:28](-[c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[n:38][cH:39]2)[n:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:30]1)=[O:33]