Acetic Acid → HCID 11518665, compound

HRID 1235960Notes

Reaction equation

HRID 1235960 reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:52][C:53](=[O:54])[OH:55].[CH:43](=[O:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:56][CH:57]([Cl:58])[CH3:59].[NH:1]1[CH:2]([CH2:11][NH:12][C:13](=[O:14])[NH:15][c:16]2[c:17]3[cH:18][n:19][n:20]([C:25](=[O:26])[O:27][CH3:28])[c:21]3[cH:22][cH:23][cH:24]2)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[Na+:42]>>[N:1]1([CH2:43][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH:2]([CH2:11][NH:12][C:13](=[O:14])[NH:15][c:16]2[c:17]3[cH:18][n:19][n:20]([C:25](=[O:26])[O:27][CH3:28])[c:21]3[cH:22][cH:23][cH:24]2)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 998PhenylacetaldehydeHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 67236666HCID 67236666, compound

Product 1

HCID 11518665HCID 11518665, compound

Sources & evidence

ORD record
ord-983ea4ddd3614ff2952da4dd3fe593d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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