Acetic Acid → HCID 86648989, compound

HRID 178976Notes

Reaction equation

HRID 178976 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:42](=[O:43])([O-:44])[OH:45].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH:38][CH2:39][CH2:40][OH:41].[CH3:47][C:48]#[N:49].[CH3:50][C:51](=[O:52])[OH:53].[Cl:15][c:16]1[c:17]([CH:29]=[O:30])[n:18][cH:19][c:20]([N:22]2[CH:23]([CH3:28])[CH2:24][CH2:25][CH2:26][CH2:27]2)[n:21]1.[Na+:14].[Na+:46]>>[Cl:15][c:16]1[c:17]([CH2:29][N:38]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:39][CH2:40][OH:41])[n:18][cH:19][c:20]([N:22]2[CH:23]([CH3:28])[CH2:24][CH2:25][CH2:26][CH2:27]2)[n:21]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 4348BenzylethanolamineHCID 6342AcetonitrileHCID 2724942TriacetoxyborohydrideHCID 86648988HCID 86648988, compound

Product 1

HCID 86648989HCID 86648989, compound

Sources & evidence

ORD record
ord-4b8bd69eb0124e19a754d82b01c50c16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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