Sodium ion → 2,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester

HRID 299749Notes

Reaction equation

HRID 299749 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:9][c:10]2-[c:11]1[n:12]([CH2:16][CH3:17])[n:13][cH:14][cH:15]1.[CH3:61][C:62]#[N:63].[Cl:47][CH2:48][Cl:49].[NH2:26][c:27]1[c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[c:2]1(-[c:35]2[cH:34][c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[c:27]([NH2:26])[cH:37][cH:36]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:9][c:10]2-[c:11]1[n:12]([CH2:16][CH3:17])[n:13][cH:14][cH:15]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 574162382-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 577314872,2-dimethyl-propionic acid 5-bromo-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester

Product 1

HCID 577315452,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester

Sources & evidence

ORD record
ord-9a6667cd689c4268b7fe634fdfa8f008
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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