Acetic Acid → HCID 59692692, compound

HRID 159223Notes

Reaction equation

HRID 159223 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[s:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[cH:26][cH:27]2)[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([CH2:17][NH2:18])[CH2:10]1.[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[C:53](=[O:54])([O-:55])[OH:56].[CH3:35][C:36]([CH3:37])=[O:38].[CH3:63][C:64](=[O:65])[OH:66].[Na+:52].[Na+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[s:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[cH:26][cH:27]2)[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([CH2:17][NH:18][CH:36]([CH3:35])[CH3:37])[CH2:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 59693008HCID 59693008, compound

Product 1

HCID 59692692HCID 59692692, compound

Sources & evidence

ORD record
ord-b6916143d660451a825cf97a68081a1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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