HRID294686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

结构：Cc1ccnc2c1nc(COc1ccc(CC3SC(=O)N(C(c4ccccc4)(c4ccccc4)c4ccccc4)C3=O)cc1)n2C

HCID10699153

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc2c1nc(COc1ccc(CC3SC(=O)NC3=O)cc1)n2C

HCID10500105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-283ede23ff044cec98eea8605a026037
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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