Water → 5-(5-Amino-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde

HRID 2310102Notes

Reaction equation

HRID 2310102 reaction equation
[Br:46][c:47]1[n:48][cH:49][c:50]([NH2:53])[n:51][cH:52]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cs+:32].[Cs+:33].[OH2:45].[OH2:60]>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13](-[c:47]3[n:48][cH:49][c:50]([NH2:53])[n:51][cH:52]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1

Participants

9

Reactant 8

HCID 962Water2×HCID 1140TolueneHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5995392-Amino-5-bromopyrazineHCID 760452232-(2,6-Dimethyl-morpholin-4-yl)-3,4-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde

Product 1

HCID 866145015-(5-Amino-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde

Sources & evidence

ORD record
ord-6c6cd65694554553a36e63a9c1b9c68b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…