Sodium ion → (RS)-1-(2-cyano-4-morpholin-2-yl-phenyl)-3-(3-cyano-phenyl)-urea

HRID 1575612Notes

Reaction equation

HRID 1575612 reaction equation
[C:8]([O:9][C:10](=[O:11])[N:15]1[CH2:16][CH:17]([c:21]2[cH:22][c:23]([C:39]#[N:40])[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].[CH3:44][C:45]#[N:46].[Na+:42].[OH-:41].[OH2:43].[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]([C:39]#[N:40])[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

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 71086859HCID 71086859, compound

Product 1

HCID 71086693(RS)-1-(2-cyano-4-morpholin-2-yl-phenyl)-3-(3-cyano-phenyl)-urea

Sources & evidence

ORD record
ord-6d856098af1a4753874482524db660d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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