Sodium ion → HCID 57441161, compound

HRID 1544711Notes

Reaction equation

HRID 1544711 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:6])[cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][n:20]1)=[O:21].[Cl:22][c:23]1[cH:24][c:25](-[c:30]2[cH:31][c:32]([CH3:49])[c:33]([C:36](=[O:37])[N:38]3[CH2:39][CH2:40][CH:41]([N:44]4[CH2:45][CH2:46][CH2:47][CH2:48]4)[CH2:42][CH2:43]3)[n:34][cH:35]2)[cH:26][cH:27][c:28]1[Cl:29].[F:50][c:51]1[cH:52][c:53]([B:61]([OH:62])[OH:63])[cH:54][c:55]([C:57]([F:58])([F:59])[F:60])[cH:56]1.[Na+:64].[Na+:65].[O-:66][C:67](=[O:68])[O-:69].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH2:70]>>[c:30]1(-[c:53]2[cH:52][c:51]([F:50])[cH:56][c:55]([C:57]([F:58])([F:59])[F:60])[cH:54]2)[cH:31][c:32]([CH3:49])[c:33]([C:36](=[O:37])[N:38]2[CH2:39][CH2:40][CH:41]([N:44]3[CH2:45][CH2:46][CH2:47][CH2:48]3)[CH2:42][CH2:43]2)[n:34][cH:35]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27831923-Fluoro-5-(trifluoromethyl)benzeneboronic acidHCID 574411233-Methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl esterHCID 58016731[5-(3,4-Dichloro-phenyl)-3-methyl-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 57441161HCID 57441161, compound

Sources & evidence

ORD record
ord-f27f87a015564c549e547fde2eacff0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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