Acetic Acid → HCID 46846917, compound

HRID 189140Notes

Reaction equation

HRID 189140 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8](-[c:10]2[n:11][o:12][c:13](-[c:15]3[c:16]([C:26]([F:27])([F:28])[F:29])[c:17](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:18][o:19]3)[n:14]2)[cH:9]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:45][OH:46].[Cl:47][CH:48]([Cl:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]1.[Na+:44]>>[CH3:1][c:2]1[c:3]([CH2:4][N:30]2[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]2)[cH:6][cH:7][c:8](-[c:10]2[n:11][o:12][c:13](-[c:15]3[c:16]([C:26]([F:27])([F:28])[F:29])[c:17](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:18][o:19]3)[n:14]2)[cH:9]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 931923-azetidinecarboxylic AcidHCID 498716Cyano-borohydrideHCID 86659947HCID 86659947, compound

Product 1

HCID 46846917HCID 46846917, compound

Sources & evidence

ORD record
ord-301429c3a79f4c9d9af545893df8c786
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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