Acetic Acid → HCID 68510859, compound

HRID 1214141Notes

Reaction equation

HRID 1214141 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[C:43]([BH3-:44])#[N:45].[CH2:37]=[O:38].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][c:24]([F:26])[cH:23][cH:22]2)[O:18][CH2:17][CH:16]([NH:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:49][CH2:50][Cl:51].[Na+:46].[Na+:48].[OH-:47]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:33](=[O:34])[O:35][CH3:36])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][c:24]([F:26])[cH:23][cH:22]2)[O:18][CH2:17][CH:16]([N:27]([CH2:28][CH2:29][N:30]([CH3:31])[CH3:32])[CH3:39])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 68511081HCID 68511081, compound

Product 1

HCID 68510859HCID 68510859, compound

Sources & evidence

ORD record
ord-ac766f2b0722454d87ddf84d7b997cad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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