Acetic Acid → E-2110 free base

HRID 815634Notes

Reaction equation

HRID 815634 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[C:52](=[O:53])([OH:54])[O-:55].[CH2:57]([Cl:58])[Cl:59].[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[c:12]2[cH:13]1.[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:30]([c:31]1[CH2:32][CH:33]=[O:34])[O:29][C:28]([CH3:35])([CH3:36])[CH2:27][C:26]2=[O:37].[CH3:60][C:61](=[O:62])[OH:63].[Na+:51].[Na+:56]>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH:14]3[CH2:15][CH2:16][N:17]([CH2:33][CH2:32][c:31]4[c:22]([O:21][CH3:20])[cH:23][cH:24][c:25]5[c:30]4[O:29][C:28]([CH3:35])([CH3:36])[CH2:27][C:26]5=[O:37])[CH2:18][CH2:19]3)[c:12]2[cH:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57682772(7-Methoxy-2,2-dimethyl-4-oxochroman-8-yl)acetaldehydeHCID 576828371-(piperidin-4-yl)-N-methyl-1H-indole-6-carboxamide

Product 1

HCID 11677552E-2110 free base

Sources & evidence

ORD record
ord-ff7281a6d5f14aaaad1b8137ae09a33b
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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