Potassium Cation → 4-[7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]piperazine-1-carboxamide

HRID 296169Notes

Reaction equation

HRID 296169 reaction equation
[Br:33][c:34]1[cH:35][n:36]([S:50](=[O:51])(=[O:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:37]2[n:38][cH:39][n:40][c:41]([N:43]3[CH2:44][CH:45]([CH3:49])[NH:46][CH2:47][CH2:48]3)[c:42]12.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:70][OH:71].[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[K+:59].[K+:60].[NH2:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[NH:19][CH:20]([CH3:21])[CH3:22])[cH:23][cH:24][cH:25]1.[O-:61][C:62]([O-:63])=[O:64]>>[C:5](=[O:11])([NH:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[NH:19][CH:20]([CH3:21])[CH3:22])[cH:23][cH:24][cH:25]1)[N:46]1[CH:45]([CH3:49])[CH2:44][N:43]([c:41]2[n:40][cH:39][n:38][c:37]3[n:36]([S:50](=[O:51])(=[O:52])[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:35][c:34]([Br:33])[c:42]32)[CH2:48][CH2:47]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19660Carbonate IonHCID 94429TriphosgeneHCID 30190233-amino-N-(isopropyl)benzamideHCID 687281627-(Benzenesulfonyl)-5-bromo-4-(3-methylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine

Product 1

HCID 689612644-[7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]piperazine-1-carboxamide

Sources & evidence

ORD record
ord-9a5ae94fb5f54091a593d2bd2e28a5e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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