HRID1540078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2736613

3-Hydroxythiophenol

C6H6OS

结构：COC(=O)c1cc(-c2cc(Cl)nc(N)n2)c(C)cc1OC

HCID59224675

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cc(Sc3cccc(O)c3)nc(N)n2)c(C)cc1OC

HCID59224660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ea6b6449b94baba6679bc74b617a49
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

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