Acetic Acid → HCID 90999038, compound

HRID 1209098Notes

Reaction equation

HRID 1209098 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH2:13][NH:14][CH2:15][CH:16]3[N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]3)[cH:11][cH:12]2)[cH:28][cH:29]1.[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([OH:52])[O-:53].[CH2:34]=[O:35].[CH3:30][C:31](=[O:32])[OH:33].[Cl:55][CH:56]([Cl:57])[CH3:58].[Na+:49].[Na+:54]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH2:13][N:14]([CH2:15][CH:16]3[N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]3)[CH3:30])[cH:11][cH:12]2)[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 68489504HCID 68489504, compound

Product 1

HCID 90999038HCID 90999038, compound

Sources & evidence

ORD record
ord-71ee9d57b49640918d31e3d9b72601d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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