Water → (4-Diethoxythiophosphoryloxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile

HRID 211844

Reaction equation

HRID 211844 reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:34].[OH:1][N:2]=[C:3]1[CH:4]=[CH:5][C:6](=[C:9]([C:10]#[N:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH:7]=[CH:8]1.[P:18](=[S:19])([O:20][CH2:21][CH3:22])([O:23][CH2:24][CH3:25])[Cl:26]>>[O:1]([N:2]=[C:3]1[CH:4]=[CH:5][C:6](=[C:9]([C:10]#[N:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH:7]=[CH:8]1)[P:18](=[S:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25]

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 17305O,O-diethyl phosphorochloridothioateHCID 3468332-(4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile

Product 1

HCID 53671907(4-Diethoxythiophosphoryloxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile

Sources & evidence

ORD record
ord-4a3ce89c723e4a7eb956212d6cc86b15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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