Acetic Acid → HCID 67168673, compound

HRID 2341639Notes

Reaction equation

HRID 2341639 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](=[O:48])([O-:49])[OH:50].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][c:7]1[n:8][c:9]([S:12][CH2:13][C:14](=[O:15])[NH:16][CH2:17][CH:18]2[O:19][CH2:20][CH2:21][NH:22][CH2:23]2)[s:10][cH:11]1.[CH2:52]([Cl:53])[Cl:54].[CH3:55][C:56](=[O:57])[OH:58].[Cl:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1.[Na+:46].[Na+:51]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][c:7]1[n:8][c:9]([S:12][CH2:13][C:14](=[O:15])[NH:16][CH2:17][CH:18]2[O:19][CH2:20][CH2:21][N:22]([CH2:29][c:28]3[cH:27][cH:26][c:25]([Cl:24])[cH:32][cH:31]3)[CH2:23]2)[s:10][cH:11]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 77264-ChlorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 67169396HCID 67169396, compound

Product 1

HCID 67168673HCID 67168673, compound

Sources & evidence

ORD record
ord-078a13471c954925bab20eafd13f9ea2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…