Acetic Acid → HCID 68294816, compound

HRID 682036Notes

Reaction equation

HRID 682036 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22](=[O:29])[nH:23][c:24]([CH3:28])[cH:25][c:26]2[CH3:27])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1.[C:44]([BH3-:45])#[N:46].[CH3:38][OH:39].[CH3:40][C:41](=[O:42])[OH:43].[CH:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Na+:47]>>[Br:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22](=[O:29])[nH:23][c:24]([CH3:28])[cH:25][c:26]2[CH3:27])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][N:14]([CH2:30][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:15][CH2:16]3)[c:9]2[cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 68294878HCID 68294878, compound

Product 1

HCID 68294816HCID 68294816, compound

Sources & evidence

ORD record
ord-800a3eb121d844a49ab35a1c0c5a9eda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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