HRID695512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID651148

phenyl N-(1,3-thiazol-2-yl)carbamate

C10H8N2O2S

HCID22936351

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Sc3ccc(NC(=O)Nc4nccs4)s3)c2cc1OC

HCID22936636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2b99de1ba3f476ab9d8fc00f5d24be7
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][cH:18][c:19]([NH2:21])[s:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:44][S:45]([CH3:46])=[O:47].[OH2:43].[c:22]1([O:28][C:29](=[O:23])[NH:30][c:31]2[s:32][cH:33][cH:34][n:35]2)[cH:24][cH:25][cH:26][cH:27][cH:36]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][cH:18][c:19]([NH:21][C:29](=[O:28])[NH:30][c:31]4[s:32][cH:33][cH:34][n:35]4)[s:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]