Acetic Acid → HCID 69059990, compound

HRID 181062Notes

Reaction equation

HRID 181062 reaction equation
[C:33]([BH3-:34])#[N:35].[CH3:1][NH:2][CH3:3].[CH3:39][OH:40].[CH3:42][C:43](=[O:44])[OH:45].[CH3:9][n:10]1[n:11][c:12]2[c:13]([n:14]1)[cH:15][cH:16][c:17](-[c:19]1[n:20][c:21]([CH:31]=[O:32])[nH:22][c:23]1-[c:24]1[n:25][c:26]([CH3:30])[cH:27][cH:28][cH:29]1)[cH:18]2.[Na+:36].[Na+:38].[O:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1.[OH-:37].[OH2:41]>>[CH3:1][N:2]([CH3:3])[CH2:31][c:21]1[n:20][c:19](-[c:17]2[cH:16][cH:15][c:13]3[c:12]([n:11][n:10]([CH3:9])[n:14]3)[cH:18]2)[c:23](-[c:24]2[n:25][c:26]([CH3:30])[cH:27][cH:28][cH:29]2)[nH:22]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 674DimethylamineHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 86592586HCID 86592586, compound

Product 1

HCID 69059990HCID 69059990, compound

Sources & evidence

ORD record
ord-6c23a5d6425f4799ac9d84b95f9c13d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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