Acetic Acid → HCID 16048831, compound

HRID 309895Notes

Reaction equation

HRID 309895 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:30][C:31](=[O:32])[OH:33].[CH3:51][OH:52].[Cl:48][CH2:49][Cl:50].[Na+:47].[O:23]=[C:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:22])[CH2:19][CH2:20][CH2:21]3)[cH:15][cH:16]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:22])[CH2:19][CH2:20][CH2:21]3)[cH:15][cH:16]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][N:8]([CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1)[CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 7967CyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 66930837HCID 66930837, compound

Product 1

HCID 16048831HCID 16048831, compound

Sources & evidence

ORD record
ord-9ace183bffe34beead98e270eeef192c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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