Acetic Acid → HCID 70543352, compound

HRID 311109Notes

Reaction equation

HRID 311109 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:40][C:41](=[O:42])[OH:43].[Cl:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:39]1)[C:26]([c:32]1[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]1)=[N:27][CH2:28][C:29](=[O:31])[NH:30]2.[H-:9].[Na+:10].[P:11]([Cl:12])([O:13][CH2:14][CH3:15])([O:16][CH2:17][CH3:18])=[O:19]>>[C:1](#[N:2])[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[C:29]1[CH2:28][N:27]=[C:26]([c:32]2[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]2)[c:25]2[c:24]([cH:23][cH:22][c:21]([Cl:20])[cH:39]2)[NH:30]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 4540NorfludiazepamHCID 7764Ethyl cyanoacetateHCID 8028TetrahydrofuranHCID 13139Diethyl chlorophosphateHCID 166653Hydride

Product 1

HCID 70543352HCID 70543352, compound

Sources & evidence

ORD record
ord-4252412c8b9a49b9a54d98292b2bccc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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