Sodium ion → HCID 87304779, compound

HRID 317375Notes

Reaction equation

HRID 317375 reaction equation
[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:32]3[CH:33]([CH2:37][OH:38])[CH2:34][CH2:35][CH2:36]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42].[Na+:91].[O:43]=[C:44]1[NH:45][C:46](=[O:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]21.[O:54]=[C:55]([O:56][CH2:57][CH3:58])[N:59]=[N:60][C:61]([O:62][CH2:63][CH3:64])=[O:65].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[OH-:90].[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:32]3[CH:33]([CH2:37][N:45]4[C:44](=[O:43])[c:53]5[c:48]([cH:49][cH:50][cH:51][cH:52]5)[C:46]4=[O:47])[CH2:34][CH2:35][CH2:36]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6809PhthalimideHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 780739992-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-N,2-dimethylpropanamide

Product 1

HCID 87304779HCID 87304779, compound

Sources & evidence

ORD record
ord-49e41ec441a8482f830d61ce7d29fd0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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