Acetic Acid → HCID 178437495, compound

HRID 97873Notes

Reaction equation

HRID 97873 reaction equation
[CH2:24]([CH3:25])[n:26]1[n:27][cH:28][c:29]2[c:30]1[n:31][c:32]([CH2:58][CH3:59])[c:33]([CH2:42][NH:43][C:44]([c:45]1[cH:46][cH:47][c:48]([CH2:51][CH2:52][CH2:53][CH2:54][CH:55]=[O:56])[cH:49][cH:50]1)=[O:57])[c:34]2[NH:35][CH:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:60][C:61](=[O:62])[OH:63].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[NH2:1][CH2:2][CH:3]([O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]2[c:19]([OH:22])[cH:20][cH:21]1.[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[OH2:80]>>[NH:1]([CH2:2][CH:3]([O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]2[c:19]([OH:22])[cH:20][cH:21]1)[CH2:55][CH2:54][CH2:53][CH2:52][CH2:51][c:48]1[cH:47][cH:46][c:45]([C:44]([NH:43][CH2:42][c:33]2[c:32]([CH2:58][CH3:59])[n:31][c:30]3[n:26]([CH2:24][CH3:25])[n:27][cH:28][c:29]3[c:34]2[NH:35][CH:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)=[O:57])[cH:50][cH:49]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 218806025-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-quinolin-2-oneHCID 58505298N-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(5-oxopentyl)benzamide

Product 1

HCID 178437495HCID 178437495, compound

Sources & evidence

ORD record
ord-f8b9b671c52846d0a6ab3584018a774f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…