Sodium ion → ethyl 2-[5-[3-[[6-(4-methoxyphenyl)-3-(trifluoromethyl)-2-pyridinyl]amino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetate

HRID 1219661Notes

Reaction equation

HRID 1219661 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([B:52]([OH:53])[OH:54])[cH:50][cH:51]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:28]([F:29])([F:30])[F:31])[c:6]([NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH:18]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:17][CH2:16]3)[n:7]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:62]>>[c:2]1(-[c:49]2[cH:48][cH:47][c:46]([O:45][CH3:44])[cH:51][cH:50]2)[cH:3][cH:4][c:5]([C:28]([F:29])([F:30])[F:31])[c:6]([NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH:18]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:17][CH2:16]3)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 201262(4-Methoxyphenyl)boronic acidHCID 178470610HCID 178470610, compound

Product 1

HCID 178470607ethyl 2-[5-[3-[[6-(4-methoxyphenyl)-3-(trifluoromethyl)-2-pyridinyl]amino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetate

Sources & evidence

ORD record
ord-f1071239c98d41b0b443844cfb8ae91b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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