Acetic Acid → HCID 57555278, compound

HRID 2317358Notes

Reaction equation

HRID 2317358 reaction equation
[C:58]([BH3-:59])#[N:60].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[n:10]1[c:11]([CH3:43])[n:12][c:13]2[c:19]1-[c:18]1[c:17]([cH:23][cH:22][cH:21][cH:20]1)[N:16]([C:24](=[O:25])[c:26]1[cH:27][c:28]([CH3:42])[c:29]([O:32][CH2:33][CH2:34][CH2:35][N:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:30][cH:31]1)[CH2:15][CH2:14]2.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]([CH2:53][CH:54]=[O:55])([CH3:56])[CH3:57].[CH3:62][OH:63].[CH3:64][C:65](=[O:66])[OH:67].[ClH:1].[ClH:2].[Na+:61]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[n:10]1[c:11]([CH3:43])[n:12][c:13]2[c:19]1-[c:18]1[c:17]([cH:23][cH:22][cH:21][cH:20]1)[N:16]([C:24](=[O:25])[c:26]1[cH:27][c:28]([CH3:42])[c:29]([O:32][CH2:33][CH2:34][CH2:35][N:36]3[CH2:37][CH2:38][N:39]([CH2:54][CH2:53][C:52]([CH3:51])([CH3:56])[CH3:57])[CH2:40][CH2:41]3)[cH:30][cH:31]1)[CH2:15][CH2:14]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 8471TriethylamineHCID 763353,3-DimethylbutanalHCID 498716Cyano-borohydrideHCID 57555219HCID 57555219, compound

Product 1

HCID 57555278HCID 57555278, compound

Sources & evidence

ORD record
ord-31fb677290fb440abc5d95ce4bf977d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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