Sodium ion → 3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide

HRID 170287Notes

Reaction equation

HRID 170287 reaction equation
[CH3:22][O:23][c:24]1[c:25](-[c:30]2[cH:31][n:32]([S:48](=[O:49])(=[O:50])[c:51]3[cH:52][cH:53][c:54]([CH3:57])[cH:55][cH:56]3)[c:33]3[n:34][cH:35][c:36]([B:39]4[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]4)[cH:37][c:38]23)[cH:26][cH:27][cH:28][cH:29]1.[CH3:67][C:68]#[N:69].[Cl:58][CH2:59][Cl:60].[F:1][c:2]1[c:3]([NH:14][CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11]([I:13])[cH:12]1.[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66]>>[F:1][c:2]1[c:3]([NH:14][CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11](-[c:36]2[cH:35][n:34][c:33]3[n:32]([S:48](=[O:49])(=[O:50])[c:51]4[cH:52][cH:53][c:54]([CH3:57])[cH:55][cH:56]4)[cH:31][c:30](-[c:25]4[c:24]([O:23][CH3:22])[cH:29][cH:28][cH:27][cH:26]4)[c:38]3[cH:37]2)[cH:12]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 577315523-fluoro-5-iodo-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide

Product 1

HCID 577315803-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide

Sources & evidence

ORD record
ord-41218fda9aae4e4da78ef22040ee28ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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