1,2-Dichloroethane → Trifluoroacetic acid

HRID 1206477Notes

Reaction equation

HRID 1206477 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[Cl:58][CH2:59][CH2:60][Cl:61].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:57].[n:36]1[c:37]([CH:42]=[O:43])[cH:38][cH:39][cH:40][cH:41]1>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([CH2:42][c:37]4[n:36][cH:41][cH:40][cH:39][cH:38]4)[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 142732-PyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 178510382HCID 178510382, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178510386HCID 178510386, compound

Sources & evidence

ORD record
ord-2fb4d433f83348a08e5dc9fbf66387d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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