Acetic Acid → N-[3-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]propylamino]-4-ethylcyclopentyl]cyclopropanesulfonamide

HRID 819158Notes

Reaction equation

HRID 819158 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:25]([CH3:26])[CH:27]1[CH2:28][CH:29]([NH:35][S:36](=[O:37])(=[O:38])[CH:39]2[CH2:40][CH2:41]2)[CH2:30][CH:31]1[N:32]=[C:33]=[O:34].[CH3:42][C:43](=[O:44])[OH:45].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[CH2:8][CH2:9][CH:10]=[O:11])[n:12]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]1)[cH:13][cH:14]2.[Cl:65][CH2:66][Cl:67].[Na+:59].[Na+:64].[O-:60][C:61]([OH:62])=[O:63]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[CH2:8][CH2:9][CH2:10][NH:32][CH:31]1[CH:27]([CH2:25][CH3:26])[CH2:28][CH:29]([NH:35][S:36](=[O:37])(=[O:38])[CH:39]3[CH2:40][CH2:41]3)[CH2:30]1)[n:12]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]1)[cH:13][cH:14]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 585575753-(4-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanalHCID 76829281N-(3-ethyl-4-isocyanatocyclopentyl)cyclopropanesulfonamide

Product 1

HCID 76829111N-[3-[3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]propylamino]-4-ethylcyclopentyl]cyclopropanesulfonamide

Sources & evidence

ORD record
ord-21043c8149e541d5941aecaad8c3ba82
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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