Acetic Acid → HCID 22937007, compound

HRID 663849Notes

Reaction equation

HRID 663849 reaction equation
[C:36]([BH3-:37])#[N:38].[C:40](=[O:41])([OH:42])[O-:43].[CH2:34]=[O:35].[CH3:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:59][C:60](=[O:61])[OH:62].[Cl:1][c:2]1[c:3]([NH:29][C:30](=[O:31])[NH:32][CH3:33])[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:22][CH:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[c:16]([C:19]#[N:20])[cH:17][c:18]23)[cH:7]1.[Na+:39].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:58]>>[Cl:1][c:2]1[c:3]([NH:29][C:30](=[O:31])[NH:32][CH3:33])[cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:22][CH:23]4[CH2:24][CH2:25][N:26]([CH3:36])[CH2:27][CH2:28]4)[c:16]([C:19]#[N:20])[cH:17][c:18]23)[cH:7]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 22936501HCID 22936501, compound

Product 1

HCID 22937007HCID 22937007, compound

Sources & evidence

ORD record
ord-d4b65f56c89e4076a86017e8a896c27a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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