HRID93675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：Cc1ccc(S(=O)(=O)OS(=O)(=O)c2ccc(C)cc2)cc1

HCID77773

Toluene-p-sulphonic anhydride

C14H14O5S2

结构：C=CCC(C)(CC(c1cncc(Cl)c1)C(O)c1ccc(Cl)cc1)C(=O)NC(CC)CO

HCID76834358

未命名化合物

2 次

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cncc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CO)C1=O

HCID76834675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a632222c49434496b171a08f871e1ad0
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

[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:71][N:72]([CH3:73])[CH3:74].[CH3:75][c:76]1[cH:77][cH:78][c:79]([S:80]([O:81][S:82]([c:83]2[cH:84][cH:85][c:86]([CH3:87])[cH:88][cH:89]2)(=[O:90])=[O:91])(=[O:92])=[O:93])[cH:94][cH:95]1.[CH3:99][C:100]#[N:101].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][C:11]([C:12](=[O:13])[NH:14][CH:15]([CH2:16][OH:17])[CH2:18][CH3:19])([CH2:20][CH:21]=[CH2:22])[CH3:23])[c:24]2[cH:25][n:26][cH:27][c:28]([Cl:30])[cH:29]2)[OH:31])[cH:6][cH:7]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:37]([OH:38])[CH:39]([c:40]2[cH:41][n:42][cH:43][c:44]([Cl:45])[cH:46]2)[CH2:47][C:48]([CH3:49])([CH2:50][CH:51]=[CH2:52])[C:53]([NH:54][CH:55]([CH2:56][CH3:57])[CH2:58][OH:59])=[O:60])[cH:61][cH:62]1.[Cl:96][CH2:97][Cl:98].[ClH:70]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:24]3[cH:25][n:26][cH:27][c:28]([Cl:30])[cH:29]3)[CH2:10][C:11]([CH2:20][CH:21]=[CH2:22])([CH3:23])[C:12](=[O:13])[N:14]2[CH:15]([CH2:16][OH:17])[CH2:18][CH3:19])[cH:6][cH:7]1