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Sodium Ion → 1-(3-Cyanophenyl)-3-(2-fluoro-4-morpholin-2-ylphenyl)urea

HRID 124905
Notes
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Reaction equation

HRID 124905 reaction equation
[C:8]([O:9][C:10](=[O:11])[N:15]1[CH2:16][CH:17]([c:21]2[cH:22][c:23]([F:39])[c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]([C:37]#[N:38])[cH:34][cH:35][cH:36]3)[cH:25][cH:26]2)[O:18][CH2:19][CH2:20]1)([CH3:12])([CH3:13])[CH3:14].[CH3:43][C:44]#[N:45].[Na+:41].[OH-:40].[OH2:42].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[NH:15]1[CH2:16][CH:17]([c:21]2[cH:22][c:23]([F:39])[c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]([C:37]#[N:38])[cH:34][cH:35][cH:36]3)[cH:25][cH:26]2)[O:18][CH2:19][CH2:20]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 71087022Tert-butyl 2-[4-[(3-cyanophenyl)carbamoylamino]-3-fluorophenyl]morpholine-4-carboxylate

Product 1

HCID 71086912
1-(3-Cyanophenyl)-3-(2-fluoro-4-morpholin-2-ylphenyl)urea

Sources & evidence

ORD record
ord-8570ae0bcaa347e187aa4f30769ec010
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes