Acetic Acid → HCID 24855227, compound

HRID 698008Notes

Reaction equation

HRID 698008 reaction equation
[C:43]([BH3-:44])#[N:45].[CH2:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[CH3:30].[CH2:31]([CH3:32])[O:33][c:34]1[cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40][c:41]1[CH3:42].[CH3:18][C:19](=[O:20])[OH:21].[CH3:47][CH2:48][OH:49].[ClH:1].[ClH:2].[NH:3]1[CH2:4][CH2:5][CH:6]([NH:9][c:10]2[n:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:7][CH2:8]1.[Na+:46]>>[N:3]1([CH2:37][c:36]2[cH:35][c:34]([O:33][CH2:31][CH3:32])[c:41]([CH3:42])[cH:40][cH:39]2)[CH2:4][CH2:5][CH:6]([NH:9][c:10]2[n:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:7][CH2:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 702EthanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 22028920HCID 22028920, compoundHCID 252420583-Ethoxy-4-methylbenzaldehyde

Product 1

HCID 24855227HCID 24855227, compound

Sources & evidence

ORD record
ord-4d6652b33ef24148a723fe6192f784a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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