Sodium ion → HCID 21101815, compound

HRID 666431Notes

Reaction equation

HRID 666431 reaction equation
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[n:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)([CH3:3])([CH3:4])[CH3:5].[Cl:49][CH2:50][Cl:51].[F:39][c:40]1[cH:41][cH:42][c:43]([N:46]=[C:47]=[O:48])[cH:44][cH:45]1.[Na+:38].[OH-:37].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[C:6](=[O:7])([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[n:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[NH:46][c:43]1[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 709554-Fluorophenyl isocyanateHCID 21101814HCID 21101814, compound

Product 1

HCID 21101815HCID 21101815, compound

Sources & evidence

ORD record
ord-baf43c37ca98445ca7892ff5c1056499
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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