HRID1559145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID6811

Phthalic anhydride

C8H4O3

HCID8471

Triethylamine

C6H15N

HCID9925543

4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline

C10H8F7N

HCID11437082

N-[1,1-dimethyl-2-(methylthio)ethyl]phthalamic acid

C13H17NO3S

HCID12097380

2-methyl-1-methylthio-2-propanamine

C5H13NS

PRODUCTS

生成物

结构：CSCC(C)(C)NC(=O)c1ccccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

HCID22066226

N1-[1,1-Dimethyl-2-(methylthio)ethyl]-N2-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide

C23H23F7N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16cb08701fa24ffca5cf4d340919fded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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