HRID1555184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23255822

未命名化合物

HCID58392187

未命名化合物

结构：CSCc1cccc2c(C(C)(c3ccc(Cl)cc3)C3CC3)c[nH]c12

HCID58392290

未命名化合物

PRODUCTS

生成物

结构：CSCc1cccc2c(C(C)(c3ccc(C(F)(F)F)cc3)C3CC3)c[nH]c12

HCID58392190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5904bf8783041ceb09f02c1cddfb7c6
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][S:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][nH:11][c:12]12.[CH:13]1([C:16]([CH3:17])([OH:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH2:14][CH2:15]1.[Cl:29][c:30]1[cH:31][cH:32][c:33]([C:34]([c:35]2[c:36]3[c:37]([c:38]([CH2:39][S:40][CH3:41])[cH:42][cH:43][cH:44]3)[nH:45][cH:46]2)([CH:47]2[CH2:48][CH2:49]2)[CH3:50])[cH:51][cH:52]1>>[CH3:1][S:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]([C:16]([CH:13]3[CH2:14][CH2:15]3)([CH3:17])[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[cH:10][nH:11][c:12]12