HRID316457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

结构：CN(C)CCCOc1ccc(-c2cnc(Nc3ccccc3)s2)cc1

HCID11245147

未命名化合物

结构：Oc1ccc(Nc2ncc(-c3ccsc3)s2)c(C(F)(F)F)c1

HCID58923523

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1ccc(Nc2ncc(-c3ccsc3)s2)c(C(F)(F)F)c1

HCID58923532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18beb443545a4f81811cf2b6cd3c287e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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