Formic Acid → 4-Amino-2-chloro-3-fluorobenzonitrile

HRID 211928Notes

Reaction equation

HRID 211928 reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH:22]1([N:23]=[C:24]=[N:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[CH:52]([OH:53])=[O:54].[Cl:38][CH2:39][Cl:40].[ClH:1].[Cu+2:51].[NH2:2][OH:3].[NH2:4][c:5]1[c:6]([F:14])[c:7]([Cl:13])[c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[OH2:37].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[S:46]([O-:47])([O-:48])(=[O:49])=[O:50].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[NH2:4][c:5]1[c:6]([F:14])[c:7]([Cl:13])[c:8]([C:9]#[N:17])[cH:11][cH:12]1

Participants

12

Reactant 11

HCID 284Formic AcidHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 962Water6×HCID 1049PyridineHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 27099Cupric cationHCID 597543024-Amino-2-chloro-3-fluorobenzaldehyde

Product 1

HCID 534162084-Amino-2-chloro-3-fluorobenzonitrile

Sources & evidence

ORD record
ord-7c373aeb24c94c82aada9a0dd09e1167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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