HRID2154393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID3685732

2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone

C11H13BrO4

结构：CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)[nH]c(=S)n2CCCN(C)CCc1ccccn1

HCID86596757

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)CSc2nc3cc(C(=O)N(CC(C)C)CC(C)C)ccc3n2CCCN(C)CCc2ccccn2)cc(OC)c1OC

HCID57567654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5d6e2fdff8d47c3b8c4418a6d3bd913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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