Acetic Acid → HCID 69624138, compound

HRID 1128521Notes

Reaction equation

HRID 1128521 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([NH:21][CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:41]([BH3-:42])#[N:43].[CH3:37][C:38](=[O:39])[OH:40].[CH:33]([CH2:34][OH:35])=[O:36].[Cl:45][CH2:46][Cl:47].[Na+:44].[OH2:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([N:21]([CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[CH2:33][CH2:34][OH:35])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 756GlycolaldehydeHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 69624286HCID 69624286, compound

Product 1

HCID 69624138HCID 69624138, compound

Sources & evidence

ORD record
ord-e7e5d80fff88456b9944a9da7c0e4fe0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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