Sodium ion → N-(4-{2-[(4-morpholin-4-ylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}phenyl)acetamide

HRID 91706

Reaction equation

HRID 91706 reaction equation
[Br:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][c:9]3[cH:10][cH:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[cH:13][cH:14]3)[n:7]1)[nH:21][cH:22][cH:23]2.[C:24]([CH3:25])(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Na+:41].[Na+:42]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([NH:27][C:24]([CH3:25])=[O:26])[cH:33][cH:32]2)[c:3]2[c:4]([n:5][c:6]([NH:8][c:9]3[cH:10][cH:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[cH:13][cH:14]3)[n:7]1)[nH:21][cH:22][cH:23]2

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27346574-Acetamidophenylboronic acidHCID 57991309HCID 57991309, compound

Product 1

HCID 57990878N-(4-{2-[(4-morpholin-4-ylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}phenyl)acetamide

Sources & evidence

ORD record
ord-9ef07b22cb4144af9f088d9e481ca72e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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