Acetic Acid → HCID 53373968, compound

HRID 1144703Notes

Reaction equation

HRID 1144703 reaction equation
[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].[CH2:33]=[O:34].[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:26][CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([O:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH3:65][C:66](=[O:67])[OH:68].[Cl:55][CH2:56][Cl:57].[ClH:1].[ClH:2].[Na+:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH2:35].[OH2:58]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:26][CH:27]2[CH2:28][CH2:29][N:30]([CH3:36])[CH2:31][CH2:32]2)[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([O:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962Water2×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 67374612HCID 67374612, compound

Product 1

HCID 53373968HCID 53373968, compound

Sources & evidence

ORD record
ord-f43cb5c1fb3d42c78a980644f9040452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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