查数据/反应详情

HRID98527

反应详情

EQUATION

反应方程式

HRID 98527 的结构方程式

REACTANTS

反应物

2

结构：Cc1ncsc1C

4,5-Dimethylthiazole

C5H7NS

结构：CC(c1ccc(Br)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

未命名化合物

PRODUCTS

生成物

1

结构：Cc1nc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)sc1C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09ca72c7067145acaacc1e1267c0c582
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH3:28][c:29]1[n:30][cH:31][s:32][c:33]1[CH3:34]>>[c:2]1(-[c:31]2[n:30][c:29]([CH3:28])[c:33]([CH3:34])[s:32]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1

AIchem 开放数据计划：mail@huagongshe.com