Acetic Acid → HCID 66781512, compound

HRID 1549008Notes

Reaction equation

HRID 1549008 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].[CH2:33]=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[Cl:59][CH2:60][Cl:61].[F:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6][CH:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][n:21][c:22]4[n:23]3[cH:24][cH:25][c:26]([O:28][CH2:29][CH2:30][O:31][CH3:32])[cH:27]4)[n:17][c:18]12.[K+:53].[K+:54].[Na+:52].[O-:55][C:56]([O-:57])=[O:58]>>[F:1][CH:2]1[CH2:3][N:4]([CH3:35])[CH2:5][CH2:6][CH:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][n:21][c:22]4[n:23]3[cH:24][cH:25][c:26]([O:28][CH2:29][CH2:30][O:31][CH3:32])[cH:27]4)[n:17][c:18]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 66781376HCID 66781376, compound

Product 1

HCID 66781512HCID 66781512, compound

Sources & evidence

ORD record
ord-4be6c9ee1694426faf8fe5a68b17af31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…