Acetate → HCID 22911835, compound

HRID 288296Notes

Reaction equation

HRID 288296 reaction equation
[CH2:34]([Mg+:35])[CH2:36][CH2:37][CH3:38].[CH2:39]([B:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:47][C:48](=[O:49])[O-:50].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl-:33].[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[s:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]3)[c:10](-[c:12]3[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]3)[n:11]2)[cH:29][c:30]([Cl:32])[cH:31]1.[NH2:51][O:52][S:53]([OH:54])(=[O:55])=[O:56].[Na+:46].[OH2:68]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[s:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH2:51])[cH:23][cH:24]3)[c:10](-[c:12]3[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]3)[n:11]2)[cH:29][c:30]([Cl:32])[cH:31]1

Participants

11

Reactant 10

HCID 175AcetateHCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 7357TriethylboraneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 76284hydroxylamine-O-sulfonic acidHCID 10229202HCID 10229202, compoundHCID 178448190HCID 178448190, compound

Product 1

HCID 22911835HCID 22911835, compound

Sources & evidence

ORD record
ord-55e3334fdde048a58309ff5b1545e256
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…