Acetic Acid → HCID 59558841, compound

HRID 2154454Notes

Reaction equation

HRID 2154454 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:8][C:9](=[O:10])[OH:11].[Cl:55][CH2:56][Cl:57].[F:12][c:13]1[c:14]([CH2:15][S:16][c:17]2[n:18][c:19]([O:34][CH3:35])[cH:20][c:21]([NH:23][S:24](=[O:25])(=[O:26])[N:27]3[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]3)[n:22]2)[cH:36][cH:37][cH:38][c:39]1[F:40].[Na+:54]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:30]2[CH2:29][CH2:28][N:27]([S:24]([NH:23][c:21]3[cH:20][c:19]([O:34][CH3:35])[n:18][c:17]([S:16][CH2:15][c:14]4[c:13]([F:12])[c:39]([F:40])[cH:38][cH:37][cH:36]4)[n:22]3)(=[O:25])=[O:26])[CH2:32][CH2:31]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 67051257HCID 67051257, compound

Product 1

HCID 59558841HCID 59558841, compound

Sources & evidence

ORD record
ord-ee154a91e86c4501a2e69d8fd754c879
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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