Acetic Acid → HCID 70161020, compound

HRID 2350230Notes

Reaction equation

HRID 2350230 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([OH:56])[O-:57].[CH2:38]=[O:39].[CH3:62][C:63](=[O:64])[OH:65].[Cl:59][CH2:60][Cl:61].[F:1][C:2]1([F:37])[CH2:3][CH2:4][N:5]([C:23](=[O:24])[c:25]2[c:26]([CH3:36])[n:27][c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[s:29]2)[c:6]2[c:7]([cH:19][cH:20][cH:21][cH:22]2)[C:8]1=[CH:9][C:10](=[O:11])[NH:12][CH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[Na+:53].[Na+:58]>>[F:1][C:2]1([F:37])[CH2:3][CH2:4][N:5]([C:23](=[O:24])[c:25]2[c:26]([CH3:36])[n:27][c:28](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[s:29]2)[c:6]2[c:7]([cH:19][cH:20][cH:21][cH:22]2)[C:8]1=[CH:9][C:10](=[O:11])[NH:12][CH:13]1[CH2:14][CH2:15][N:16]([CH3:40])[CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 70161879HCID 70161879, compound

Product 1

HCID 70161020HCID 70161020, compound

Sources & evidence

ORD record
ord-3be60283857a492ea41ab24e2960a607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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