Acetate → 2-(2-chloro-1,3-thiazol-5-yl)-N-[1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

HRID 206512Notes

Reaction equation

HRID 206512 reaction equation
[C:1](#[N:2])[CH:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[c:19]2[cH:20][n:21]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[c:22]3[n:23][cH:24][c:25](-[c:28]4[cH:29][n:30][c:31]([Cl:33])[s:32]4)[n:26][c:27]23)[CH2:7][CH2:8]1.[CH3:50][C:51](=[O:52])[O-:53].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:55][CH2:56][Cl:57].[Na+:49].[OH2:54].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[C:1](#[N:2])[CH:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[c:19]2[cH:20][nH:21][c:22]3[n:23][cH:24][c:25](-[c:28]4[cH:29][n:30][c:31]([Cl:33])[s:32]4)[n:26][c:27]23)[CH2:7][CH2:8]1

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178446499HCID 178446499, compound

Product 1

HCID 760310622-(2-chloro-1,3-thiazol-5-yl)-N-[1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Sources & evidence

ORD record
ord-9cf6bb0b4a574fbe814d4c8b6169fa22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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