Acetic Acid → HCID 178483320, compound

HRID 95529Notes

Reaction equation

HRID 95529 reaction equation
[C:46]([BH3-:47])#[N:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][CH2:17][c:18]1[n:19][c:20]([OH:36])[c:21]([OH:35])[c:22]([C:24](=[O:25])[NH:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:23]1.[CH2:37]([N:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[CH3:43].[CH2:44]=[O:45].[CH3:60][C:61](=[O:62])[OH:63].[Cl:57][CH2:58][Cl:59].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[Na+:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:16][CH2:17][c:18]1[n:19][c:20]([OH:36])[c:21]([OH:35])[c:22]([C:24](=[O:25])[NH:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[n:23]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 498716Cyano-borohydrideHCID 178453347HCID 178453347, compound

Product 1

HCID 178483320HCID 178483320, compound

Sources & evidence

ORD record
ord-cdaf54ff71f24e2c885248e2ef1ca8d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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