Acetic Acid → HCID 10028389, compound

HRID 178401Notes

Reaction equation

HRID 178401 reaction equation
[C:31]([BH3-:32])#[N:33].[CH3:35][C:36](=[O:37])[OH:38].[CH3:46][OH:47].[Na+:34].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH3:26])[cH:27][cH:28]3)[cH:29][cH:30]2)[n:3][cH:4][cH:5]1.[nH:39]1[c:40]([CH:44]=[O:45])[n:41][cH:42][cH:43]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH3:26])[cH:27][cH:28]3)[cH:29][cH:30]2)[CH2:44][c:40]2[nH:39][cH:43][cH:42][n:41]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 249551H-imidazole-2-carbaldehydeHCID 498716Cyano-borohydrideHCID 21084427HCID 21084427, compound

Product 1

HCID 10028389HCID 10028389, compound

Sources & evidence

ORD record
ord-c9b3a0433a7040abacb008f95d7a7001
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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