Acetic Acid → HCID 20817033, compound

HRID 297975Notes

Reaction equation

HRID 297975 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[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:51][CH:52]([Cl:53])[CH3:54].[NH2:12][c:13]1[c:14]2[c:15]([n:16][cH:17][n:18]1)[n:19]([CH:30]1[CH2:31][CH2:32][C:33](=[O:36])[CH2:34][CH2:35]1)[n:20][c:21]2-[c:22]1[cH:23][c:24]([F:29])[c:25]([NH2:28])[cH:26][cH:27]1.[Na+:50]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH:33]2[CH2:32][CH2:31][CH:30]([n:19]3[c:15]4[c:14]([c:13]([NH2:12])[n:18][cH:17][n:16]4)[c:21](-[c:22]4[cH:23][c:24]([F:29])[c:25]([NH2:28])[cH:26][cH:27]4)[n:20]3)[CH2:35][CH2:34]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 22347187HCID 22347187, compound

Product 1

HCID 20817033HCID 20817033, compound

Sources & evidence

ORD record
ord-0039d0730e934a70aae8547205b7b68d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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