HRID134529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID88747

2-(Piperazin-1-yl)pyrimidine

C8H12N4

结构：Cc1ccc(SCc2cnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1C(=O)O

HCID22170438

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(SCc2cnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(c2ncccn2)CC1

HCID22170404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24fa71639eeb4b36adaf9d9130adda5d
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

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