HRID936629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID8058

n-Hexane

C6H14

HCID31275

1,4-Dioxane

C4H8O2

HCID3826051

未命名化合物

结构：COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1N

HCID57416151

4-{4-[4-(Methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyaniline

C17H28N4O3S

结构：O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3c(F)cccn3c2-c2ccnc(Cl)n2)c1

HCID59452870

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3c(F)cccn23)n1

HCID59860246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac00e587e47d4b94a7950699752c9689
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:35][O:36][c:37]1[c:38]([NH2:39])[cH:40][cH:41][c:42]([N:44]2[CH2:45][CH2:46][CH:47]([N:50]3[CH2:51][CH2:52][N:53]([S:56](=[O:57])(=[O:58])[CH3:59])[CH2:54][CH2:55]3)[CH2:48][CH2:49]2)[cH:43]1.[CH3:67][O-:68].[CH3:76][OH:77].[CH3:81][CH2:82][CH2:83][CH2:84][CH2:85][CH3:86].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][c:16]3[F:17])[n:7]1.[Cl:78][CH2:79][Cl:80].[ClH:60].[Na+:69].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH:70][CH2:71][C:72]([F:73])([F:74])[F:75]>>[c:2]1([NH:39][c:38]2[c:37]([O:36][CH3:35])[cH:43][c:42]([N:44]3[CH2:45][CH2:46][CH:47]([N:50]4[CH2:51][CH2:52][N:53]([S:56](=[O:57])(=[O:58])[CH3:59])[CH2:54][CH2:55]4)[CH2:48][CH2:49]3)[cH:41][cH:40]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][c:16]3[F:17])[n:7]1