Acetic Acid → HCID 57545947, compound

HRID 101939Notes

Reaction equation

HRID 101939 reaction equation
[C:47]([BH3-:48])#[N:49].[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:44][NH:45][CH3:46].[CH3:55][C:56]#[N:57].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[n:7][c:8]2[c:9]([CH:11]([CH:12]=[O:13])[O:14][CH2:15][C:16]2([c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:10]1.[Na+:50]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[n:7][c:8]2[c:9]([CH:11]([CH2:12][N:45]([CH3:44])[CH3:46])[O:14][CH2:15][C:16]2([c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 674DimethylamineHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 57546061HCID 57546061, compound

Product 1

HCID 57545947HCID 57545947, compound

Sources & evidence

ORD record
ord-5b2b758aa5544e15a99d9ecc680f9458
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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