HRID1132827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10906

tert-Butyl nitrite

C4H9NO2

HCID12232

Methyl disulfide

C2H6S2

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(N)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73029787

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(SC)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73042024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5cf133eee224e6e80b2269efb94e437
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:49][S:50][S:51][CH3:52].[N:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48].[NH2:1][c:2]1[cH:3][c:4]([CH2:20][N:21]2[C:22](=[O:41])[O:23][CH:24]([c:27]3[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[CH:25]2[CH3:26])[c:5](-[c:8]2[c:9]([O:18][CH3:19])[cH:10][c:11]([F:17])[c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[cH:6][cH:7]1>>[c:2]1([S:50][CH3:49])[cH:3][c:4]([CH2:20][N:21]2[C:22](=[O:41])[O:23][CH:24]([c:27]3[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[CH:25]2[CH3:26])[c:5](-[c:8]2[c:9]([O:18][CH3:19])[cH:10][c:11]([F:17])[c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[cH:6][cH:7]1