Water → 2-[4-(2-Chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]-N,N-dimethyl-isobutyramide

HRID 211336Notes

Reaction equation

HRID 211336 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]2[n:6][c:7]([Cl:18])[n:8][c:9]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]2[s:11]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:19][N:20]([C:21]([C:22]([CH3:23])([CH3:24])[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1)=[O:31])[CH3:32].[Cs+:37].[Cs+:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[CH2:2]([c:3]1[cH:4][c:5]2[n:6][c:7]([Cl:18])[n:8][c:9]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]2[s:11]1)[N:28]1[CH2:27][CH2:26][N:25]([C:22]([C:21]([N:20]([CH3:19])[CH3:32])=[O:31])([CH3:23])[CH3:24])[CH2:30][CH2:29]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 22314768N,N-dimethyl-2-piperazin-1-yl-isobutyramideHCID 461807264-(6-(Bromomethyl)-2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine

Product 1

HCID 591512572-[4-(2-Chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]-N,N-dimethyl-isobutyramide

Sources & evidence

ORD record
ord-e0bd7fc4a31d4bcc92b74f027d820071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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