Acetic Acid → HCID 86596686, compound

HRID 697559Notes

Reaction equation

HRID 697559 reaction equation
[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].[CH2:30]1[CH2:31][CH2:32][NH:33][CH2:34]1.[CH2:53]([Cl:54])[Cl:55].[CH3:1][C:2]([CH:3]=[O:4])([CH3:5])[c:6]1[n:7][n:8][c:9]([NH:11][C:12]([CH:13]([CH2:14][CH2:15][CH3:16])[NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]2)=[O:28])=[O:29])[s:10]1.[CH3:35][C:36](=[O:37])[OH:38].[Na+:52]>>[CH3:1][C:2]([CH2:3][N:33]1[CH2:32][CH2:31][CH2:30][CH2:34]1)([CH3:5])[c:6]1[n:7][n:8][c:9]([NH:11][C:12]([CH:13]([CH2:14][CH2:15][CH3:16])[NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]2)=[O:28])=[O:29])[s:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 31268PyrrolidineHCID 2724942TriacetoxyborohydrideHCID 25008286HCID 25008286, compound

Product 1

HCID 86596686HCID 86596686, compound

Sources & evidence

ORD record
ord-db34534c86cd4573b5edd20fdc34720f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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