Propanal → HCID 10432329, compound

HRID 699211Notes

Reaction equation

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

Participants

Reactant 6

HCID 527Propanal

HCID 887Methanol

HCID 923Sodium ion

HCID 9005Trimethyl orthoformate

HCID 498716Cyano-borohydride

HCID 21084462(4-{[bis-(1H-imidazol-2-ylmethyl)-amino]-methyl}-phenyl)-piperazin-1-yl-methanone

Product 1

HCID 10432329HCID 10432329, compound

Sources & evidence

ORD record: ord-fcad4867c2bf4fcfaea283689b425c4b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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