HRID116863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7312

Diisopropylamine, N-(2-chloroethyl)-

C8H18ClN

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：CC(C)N(CCOc1ccc(Nc2ncc(-c3ccsc3)s2)c(C(F)(F)F)c1)C(C)C

HCID58923535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fb94cdfca1c4874b4923101fedbb79d
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

[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[s:13][c:14]([NH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:22][cH:23]2)[cH:24][cH:25]1.[CH3:62][OH:63].[Cl:49][CH2:50][CH2:51][N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58].[Cl:59][CH2:60][Cl:61].[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>>[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]([O:43][CH2:50][CH2:51][N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[cH:41][cH:42]3)[s:35]2)[cH:29][cH:30]1