Acetic Acid → HCID 178471079, compound

HRID 2311638Notes

Reaction equation

HRID 2311638 reaction equation
[C:45]([BH3-:46])#[N:47].[C:49]1(=[O:53])[CH2:50][CH2:51][CH2:52]1.[C:61]([OH:62])(=[O:63])[CH3:64].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][NH:27][CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:31]4)[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:39][cH:40][c:41]([O:43][CH3:44])[cH:42]1.[CH3:59][OH:60].[Na+:48].[Na+:58].[O-:54][C:55]([OH:56])=[O:57]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:31]4)[CH:49]4[CH2:50][CH2:51][CH2:52]4)[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:39][cH:40][c:41]([O:43][CH3:44])[cH:42]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 14496CyclobutanoneHCID 498716Cyano-borohydrideHCID 77353409HCID 77353409, compound

Product 1

HCID 178471079HCID 178471079, compound

Sources & evidence

ORD record
ord-83f217a9cd5c4f5f8ce7fcd71dfd3ea0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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