Acetic Acid → Chloride

HRID 207150Notes

Reaction equation

HRID 207150 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH2:59]([Cl:60])[Cl:61].[CH3:37][C:38]([CH3:39])=[O:40].[CH3:41][C:42](=[O:43])[OH:44].[CH:2]1([C:8]2([CH2:28][N:29]3[C:30](=[O:36])[O:31][CH2:32][C:33]3([CH3:34])[CH3:35])[CH2:9][CH2:10][N:11]([C:14](=[O:15])[CH:16]3[CH2:17][NH2+:18][CH2:19][CH:20]3[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:12][CH2:13]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Cl-:1].[Na+:58]>>[CH:2]1([C:8]2([CH2:28][N:29]3[C:30](=[O:36])[O:31][CH2:32][C:33]3([CH3:34])[CH3:35])[CH2:9][CH2:10][N:11]([C:14](=[O:15])[CH:16]3[CH2:17][NH+:18]([CH:38]([CH3:37])[CH3:39])[CH2:19][CH:20]3[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:12][CH2:13]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Cl-:1]

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 312ChlorideHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 178429151HCID 178429151, compound

Product 2

HCID 312ChlorideHCID 178458032HCID 178458032, compound

Sources & evidence

ORD record
ord-0262ac87aba9492086d45defef664ce5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…