Acetic Acid → HCID 178456262, compound

HRID 700469Notes

Reaction equation

HRID 700469 reaction equation
[C:33]([OH:34])(=[O:35])[CH3:36].[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([OH:57])[O-:58].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:37][C:38]([CH3:39])=[O:40].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][CH:16]4[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]4)[cH:14]2)[n:22][cH:23][c:24]3[CH:25]=[C:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[NH:30]2)[cH:5][cH:6][cH:7]1.[Na+:54].[Na+:59]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][CH:16]4[CH2:17][CH2:18][N:19]([CH:38]([CH3:37])[CH3:39])[CH2:20][CH2:21]4)[cH:14]2)[n:22][cH:23][c:24]3[CH:25]=[C:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[NH:30]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 178518511HCID 178518511, compound

Product 1

HCID 178456262HCID 178456262, compound

Sources & evidence

ORD record
ord-dadf22b381b149aa943db7a8b48661b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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