Acetic Acid → HCID 178500522, compound

HRID 209000Notes

Reaction equation

HRID 209000 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[nH:6][c:7](=[O:19])[c:8]2[c:9]([n:10]1)[N:11]([C:16]([CH3:17])=[O:18])[CH:12]([OH:15])[CH2:13][CH2:14]2.[C:41]([BH3-:42])#[N:43].[CH3:55][C:56](=[O:57])[OH:58].[CH3:59][OH:60].[CH:51]([Cl:52])([Cl:53])[Cl:54].[NH2:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]1.[Na+:44].[cH:45]1[cH:46][n:47][cH:48][n:49][cH:50]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[nH:6][c:7](=[O:19])[c:8]([CH2:14][CH2:13][CH2:12][NH:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[c:9]([NH:11][C:16]([CH3:17])=[O:18])[n:10]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 9260PyrimidineHCID 498716Cyano-borohydrideHCID 12469742HCID 12469742, compoundHCID 136082964HCID 136082964, compound

Product 1

HCID 178500522HCID 178500522, compound

Sources & evidence

ORD record
ord-ee5fa9d1931245d3b31ea37672cad8b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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