Chloride → HCID 21474795, compound

HRID 297237Notes

Reaction equation

HRID 297237 reaction equation
[BH4-:39].[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Cl-:3].[Cl:4][c:5]1[cH:6][c:7]([O:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]([CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]([N+:25]([O-:26])=[O:27])[cH:23][cH:24]3)([CH3:28])[CH3:29])[C:13](=[O:15])[O:14]2)[cH:30][cH:31][cH:32]1.[Na+:40].[OH2:1].[OH2:2]>>[Cl:4][c:5]1[cH:6][c:7]([O:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]([CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]([NH2:25])[cH:23][cH:24]3)([CH3:28])[CH3:29])[C:13](=[O:15])[O:14]2)[cH:30][cH:31][cH:32]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ionHCID 962Water2×HCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 21474804HCID 21474804, compound

Product 1

HCID 21474795HCID 21474795, compound

Sources & evidence

ORD record
ord-2b288dbdc07d45e7b1e8dbb397265573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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