Ethanol → HCID 818858, compound

HRID 94354Notes

Reaction equation

HRID 94354 reaction equation
[CH2:13]([O:15][C:16](=[O:14])[c:18]1[cH:19][s:20][c:21]([Cl:23])[cH:22]1)[CH3:17].[CH2:24]([O:25][C:26]([c:27]1[cH:28][c:29]([Cl:30])[s:31][c:32]1[Cl:33])=[O:34])[CH3:35].[CH3:61][C:62]#[N:63].[CH3:64][CH2:65][OH:66].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[Cl:36][c:37]1[s:38][cH:39][c:40]([C:41]([OH:42])=[O:43])[cH:44]1.[Cl:45][c:46]1[s:47][c:48]([Cl:49])[cH:50][c:51]1[C:52]([OH:53])=[O:54].[Cl:55][C:56]([C:57]([Cl:58])=[O:59])=[O:60].[Na+:11].[Na+:12].[Na+:73].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH-:72].[S:1]([Cl:2])([Cl:3])(=[O:4])=[O:5].[S:6]([O-:7])([O-:8])(=[O:9])=[S:10]>>[O:15]=[C:16]([c:18]1[cH:19][s:20][c:21]([Cl:23])[cH:22]1)[NH2:63]

Participants

15

Reactant 14

HCID 702EthanolHCID 923Sodium ion3×HCID 961HydroxideHCID 1084Thiosulfate ionHCID 1140TolueneHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 24648Sulfuryl chlorideHCID 65578Oxalyl chlorideHCID 2254382,5-Dichlorothiophene-3-carboxylic acidHCID 8190495-Chlorothiophene-3-carboxylic acidHCID 14639928Ethyl 2,5-dichlorothiophene-3-carboxylateHCID 54170612Ethyl 5-chlorothiophene-3-carboxylate

Product 1

HCID 818858HCID 818858, compound

Sources & evidence

ORD record
ord-c18621835a1840bca753750c63ff6f72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…