Acetic Acid → HCID 178430674, compound

HRID 2332122Notes

Reaction equation

HRID 2332122 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:54][N:55]1[CH2:56][CH2:57][CH2:58][C:59]1=[O:60].[CH3:61][C:62](=[O:63])[OH:64].[CH:1](=[O:2])[c:3]1[cH:4][n:5][c:6]2[c:7]([CH3:29])[c:8]([NH:13][C:14]([c:15]3[cH:16][cH:17][c:18]([O:21][CH2:22][CH:23]4[O:24][CH2:25][CH2:26][CH2:27]4)[cH:19][cH:20]3)=[O:28])[cH:9][cH:10][c:11]2[cH:12]1.[NH2:30][CH:31]1[CH:32]([OH:37])[CH2:33][CH2:34][CH2:35][CH2:36]1.[Na+:51].[Na+:53].[OH-:52]>>[CH2:1]([c:3]1[cH:4][n:5][c:6]2[c:7]([CH3:29])[c:8]([NH:13][C:14]([c:15]3[cH:16][cH:17][c:18]([O:21][CH2:22][CH:23]4[O:24][CH2:25][CH2:26][CH2:27]4)[cH:19][cH:20]3)=[O:28])[cH:9][cH:10][c:11]2[cH:12]1)[NH:30][CH:31]1[CH:32]([OH:37])[CH2:33][CH2:34][CH2:35][CH2:36]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 13387N-methyl-2-pyrrolidoneHCID 232862-AminocyclohexanolHCID 2724942TriacetoxyborohydrideHCID 86661906HCID 86661906, compound

Product 1

HCID 178430674HCID 178430674, compound

Sources & evidence

ORD record
ord-3616b89ebf9f4e55944a359b6215c113
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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