Acetic Acid → HCID 46198656, compound

HRID 192418Notes

Reaction equation

HRID 192418 reaction equation
[C:42]([BH3-:43])#[N:44].[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([N:24]([CH2:25][CH2:26][OH:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][NH:22][CH2:23]4)[cH:11][cH:12]2)[cH:6]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:46][OH:47].[CH:38]([CH2:39][CH3:40])=[O:41].[Na+:45]>>[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([N:24]([CH2:25][CH2:26][OH:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][N:22]([CH2:38][CH2:39][CH3:40])[CH2:23]4)[cH:11][cH:12]2)[cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 527PropanalHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 59333755HCID 59333755, compound

Product 1

HCID 46198656HCID 46198656, compound

Sources & evidence

ORD record
ord-65c024d0c741431a8e8842781e312ee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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