Acetic Acid → HCID 86612058, compound

HRID 2161247Notes

Reaction equation

HRID 2161247 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:19]2[c:20]([O:26][CH3:27])[n:21][n:22][c:23]([Cl:25])[cH:24]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]=[O:18])[cH:15][c:16]12.[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:28][N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:35][C:36](=[O:37])[OH:38].[Cl:53][CH2:54][Cl:55].[Na+:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:19]2[c:20]([O:26][CH3:27])[n:21][n:22][c:23]([Cl:25])[cH:24]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][N:32]3[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]3)[cH:15][c:16]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 86612057HCID 86612057, compound

Product 1

HCID 86612058HCID 86612058, compound

Sources & evidence

ORD record
ord-ddaee9ee6a8b4064b653c8f414344ba0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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