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Sodium Ion → 3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]prop-2-enenitrile

HRID 664837
Notes
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Reaction equation

HRID 664837 reaction equation
[C:36]([CH2:37][P:38](=[O:39])([O:40][CH2:41][CH3:42])[O:43][CH2:44][CH3:45])#[N:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:1]1([c:4]2[n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[c:12](-[c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[c:13]2[CH:14]=[O:15])[CH2:2][CH2:3]1.[Na+:35].[OH-:34].[OH2:54].[PH:23](=[O:24])([O-:28])[O:29][C:25]([C:26]#[N:27])([CH2:30][CH3:31])[CH2:32][CH3:33]>>[CH:1]1([c:4]2[n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[c:12](-[c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[c:13]2[CH:14]=[CH:25][C:26]#[N:27])[CH2:2][CH2:3]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 75676Diethyl (cyanomethyl)phosphonateHCID 99479742-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehydeHCID 178449162HCID 178449162, compound

Product 1

HCID 533950303-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]prop-2-enenitrile

Sources & evidence

ORD record
ord-b88fab68740a4228abd248cf2c877c23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes