Acetic Acid → HCID 178527360, compound

HRID 2340845Notes

Reaction equation

HRID 2340845 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:31][C:32](=[O:33])[OH:34].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[NH2:9][c:10]1[o:11][c:12]([CH:15]2[N:16]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)[n:13][n:14]1.[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH:9][c:10]1[o:11][c:12]([CH:15]2[N:16]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)[n:13][n:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 178509139HCID 178509139, compound

Product 1

HCID 178527360HCID 178527360, compound

Sources & evidence

ORD record
ord-1d9660b0037541109bd5e351d228f1ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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