Acetic Acid → HCID 86648990, compound

HRID 2349249Notes

Reaction equation

HRID 2349249 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:41](=[O:42])([O-:43])[OH:44].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH:37][CH2:38][CH2:39][OH:40].[CH3:46][C:47]#[N:48].[CH3:49][C:50](=[O:51])[OH:52].[Cl:15][c:16]1[c:17]([CH:28]=[O:29])[n:18][cH:19][c:20]([N:22]2[CH:23]([CH3:27])[CH2:24][CH2:25][CH2:26]2)[n:21]1.[Na+:14].[Na+:45]>>[Cl:15][c:16]1[c:17]([CH2:28][N:37]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:38][CH2:39][OH:40])[n:18][cH:19][c:20]([N:22]2[CH:23]([CH3:27])[CH2:24][CH2:25][CH2:26]2)[n:21]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 4348BenzylethanolamineHCID 6342AcetonitrileHCID 2724942TriacetoxyborohydrideHCID 86648991HCID 86648991, compound

Product 1

HCID 86648990HCID 86648990, compound

Sources & evidence

ORD record
ord-833b6d433873485d8f50c32774339d8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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