Acetic Acid → HCID 67263730, compound

HRID 674594Notes

Reaction equation

HRID 674594 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:33]=[O:34].[CH3:29][C:30](=[O:31])[OH:32].[CH3:35][C:36]#[N:37].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[N+:15](=[O:16])([O-:17])[c:18]1[cH:19][cH:20][c:21]2[c:22]([cH:28]1)[NH:23][CH2:24][CH2:25][CH2:26][O:27]2.[Na+:14].[OH2:38]>>[CH3:1][N:23]1[c:22]2[c:21]([cH:20][cH:19][c:18]([N+:15](=[O:16])[O-:17])[cH:28]2)[O:27][CH2:26][CH2:25][CH2:24]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 109871302,3,4,5-Tetrahydro-7-nitro-1,5-benzoxazepine

Product 1

HCID 67263730HCID 67263730, compound

Sources & evidence

ORD record
ord-338887e8cf34447c902d7c4ebbf7cdf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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