Acetic Acid → HCID 59285904, compound

HRID 312184Notes

Reaction equation

HRID 312184 reaction equation
[C:12]([BH3-:13])#[N:14].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH2:10][OH:11].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:47][C:48](=[O:49])[OH:50].[NH2:16][C:17](=[O:18])[NH:19][c:20]1[nH:21][c:22](-[c:28]2[cH:29][cH:30][c:31]([CH:34]=[O:35])[cH:32][cH:33]2)[cH:23][c:24]1[C:25](=[O:26])[NH2:27].[Na+:15].[Na+:36].[OH2:46].[OH:37][C:38](=[O:39])[O-:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][OH:11])[CH2:34][c:31]1[cH:30][cH:29][c:28](-[c:22]2[nH:21][c:20]([NH:19][C:17]([NH2:16])=[O:18])[c:24]([C:25](=[O:26])[NH2:27])[cH:23]2)[cH:33][cH:32]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 4348BenzylethanolamineHCID 6228DimethylformamideHCID 498716Cyano-borohydrideHCID 59285919HCID 59285919, compound

Product 1

HCID 59285904HCID 59285904, compound

Sources & evidence

ORD record
ord-6cafe350f2ea48369cf1430f42364ee4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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