Acetic Acid → HCID 10138816, compound

HRID 301855Notes

Reaction equation

HRID 301855 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:24][S:25](=[O:26])(=[O:27])[N:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:34][C:35](=[O:36])[OH:37].[Na+:51].[O:1]=[CH:2][CH2:3][c:4]1[cH:5][c:6]2[cH:7][c:8](-[c:13]3[c:14](=[O:23])[nH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22]3)[nH:9][c:10]2[cH:11][cH:12]1>>[CH2:2]([CH2:3][c:4]1[cH:5][c:6]2[cH:7][c:8](-[c:13]3[c:14](=[O:23])[nH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22]3)[nH:9][c:10]2[cH:11][cH:12]1)[N:31]1[CH2:30][CH2:29][N:28]([S:25]([CH3:24])(=[O:26])=[O:27])[CH2:33][CH2:32]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 7091611-(Methylsulfonyl)piperazineHCID 2724942TriacetoxyborohydrideHCID 18436972HCID 18436972, compound

Product 1

HCID 10138816HCID 10138816, compound

Sources & evidence

ORD record
ord-6d007f650e5e4a0a8a0950194b44c797
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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