Acetate → 4-((5-ethoxy-2-fluoro-3-isopropoxyphenyl)(1-phenyl-1H-pyrazol-3-yl)methylamino)benzonitrile

HRID 2148643Notes

Reaction equation

HRID 2148643 reaction equation
[BH:45]([OH:46])[OH:47].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([O:26][CH:27]([CH3:28])[CH3:29])[c:7]([F:25])[c:8]([N:10]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:19][c:20]2[n:21][nH:22][cH:23][cH:24]2)[cH:9]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:48][CH2:49][Cl:50].[Cu+2:61].[OH:36][B:37]([OH:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([O:26][CH:27]([CH3:28])[CH3:29])[c:7]([F:25])[c:8]([N:10]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:19][c:20]2[n:21][n:22](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:23][cH:24]2)[cH:9]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 61668Boronic AcidHCID 66827Phenylboronic AcidHCID 178467025HCID 178467025, compound

Product 1

HCID 688148674-((5-ethoxy-2-fluoro-3-isopropoxyphenyl)(1-phenyl-1H-pyrazol-3-yl)methylamino)benzonitrile

Sources & evidence

ORD record
ord-1ebeef0fda5a49f9a24d62105f88a5eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…