Acetic Acid → HCID 68638237, compound

HRID 287123Notes

Reaction equation

HRID 287123 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:31][CH3:32])[n:21][n:22][c:23](-[c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[cH:24]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]=[O:18])[cH:15][c:16]12.[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:40][C:41](=[O:42])[OH:43].[Cl:58][CH2:59][Cl:60].[Na+:57]>>[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:31][CH3:32])[n:21][n:22][c:23](-[c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[cH:24]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][N:37]3[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]3)[cH:15][c:16]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 86612052HCID 86612052, compound

Product 1

HCID 68638237HCID 68638237, compound

Sources & evidence

ORD record
ord-22a56f0c0e6341b2adcb9ebc4de76199
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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