Acetic Acid → HCID 53819466, compound

HRID 2345753Notes

Reaction equation

HRID 2345753 reaction equation
[C:38]([BH3-:39])#[N:40].[C:46]([OH:47])(=[O:48])[CH3:49].[CH3:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[n:17][cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([C:26]#[C:27][CH:28]4[CH2:29][NH:30][CH2:31][CH2:32][CH2:33]4)[cH:24][c:25]23)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:43][OH:44].[CH:34]([CH2:35][CH3:36])=[O:37].[ClH:42].[Na+:41].[OH2:45]>>[CH3:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[n:17][cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([C:26]#[C:27][CH:28]4[CH2:29][N:30]([CH2:34][CH2:35][CH3:36])[CH2:31][CH2:32][CH2:33]4)[cH:24][c:25]23)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 527PropanalHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 18616536HCID 18616536, compound

Product 1

HCID 53819466HCID 53819466, compound

Sources & evidence

ORD record
ord-2771d321b53c4286920f713f5195be24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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