Acetic Acid → HCID 54721744, compound

HRID 1219770Notes

Reaction equation

HRID 1219770 reaction equation
[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([Cl:35])=[O:36].[C:43]([BH3-:44])#[N:45].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:37][C:38]([CH3:39])([OH:40])[C:41]#[N:42].[CH3:47][C:48](=[O:49])[OH:50].[CH3:51][C:52]#[N:53].[CH:1]1([CH2:6][C:7]2([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:8][C:9]([OH:14])=[CH:10][C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:54][CH2:55][Cl:56].[Na+:46]>>[CH:1]1([CH2:6][C:7]2([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:8][C:9]([OH:14])=[C:10]([CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6406Acetone CyanohydrinHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 498716Cyano-borohydrideHCID 54690707HCID 54690707, compound

Product 1

HCID 54721744HCID 54721744, compound

Sources & evidence

ORD record
ord-15c52f8cc05b4ce49e214f681e77425d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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