Acetic Acid → HCID 68953978, compound

HRID 97765Notes

Reaction equation

HRID 97765 reaction equation
[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:22](=[O:23])[O:24][CH3:25])[n:11][n:12]([CH2:18][C:19](=[O:16])[CH3:20])[c:13]1[C:14](=[O:15])[O:17][CH3:21].[CH3:26][NH2:27].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:46][CH2:47][Cl:48].[Na+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:22](=[O:23])[O:24][CH3:25])[n:11][n:12]2[c:13]1[C:14](=[O:15])[N:27]([CH3:26])[CH:19]([CH3:20])[CH2:18]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 1140TolueneHCID 6329MethylamineHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 68954281Dimethyl 4-benzyloxy-1-(2-oxopropyl)-1H-pyrazole-3,5-dicarboxylate

Product 1

HCID 68953978HCID 68953978, compound

Sources & evidence

ORD record
ord-27b502e7c1a34abeb897f6a915f6bcb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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