Acetic Acid → HCID 178516837, compound

HRID 1145979Notes

Reaction equation

HRID 1145979 reaction equation
[C:39]([BH3-:40])#[N:41].[CH3:35][C:36](=[O:37])[OH:38].[CH3:43][OH:44].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[NH:15][CH:16]3[C:17](=[O:34])[N:18]([N:21]=[C:22]4[CH2:23][CH2:24][N:25]([c:28]5[cH:29][cH:30][n:31][cH:32][cH:33]5)[CH2:26][CH2:27]4)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[Na+:42]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[NH:15][CH:16]3[C:17](=[O:34])[N:18]([NH:21][CH:22]4[CH2:23][CH2:24][N:25]([c:28]5[cH:29][cH:30][n:31][cH:32][cH:33]5)[CH2:26][CH2:27]4)[CH2:19][CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 178516836HCID 178516836, compound

Product 1

HCID 178516837HCID 178516837, compound

Sources & evidence

ORD record
ord-f16875dd22bb4d639ea8f27691cb1b70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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