Acetic Acid → HCID 69004386, compound

HRID 1556301Notes

Reaction equation

HRID 1556301 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:25][N:26]([CH2:27][CH2:28][NH2:29])[CH3:30].[CH3:31][C:32](=[O:33])[OH:34].[Cl:49][CH:50]([Cl:51])[CH3:52].[Na+:48].[OH2:53].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH:23]=[O:24])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH2:23][NH:29][CH2:28][CH2:27][N:26]([CH3:25])[CH3:30])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 66053N,N-DimethylethylenediamineHCID 2724942TriacetoxyborohydrideHCID 91039035HCID 91039035, compound

Product 1

HCID 69004386HCID 69004386, compound

Sources & evidence

ORD record
ord-5095006c87864b29a46883a68b46693c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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