Sodium ion → Sodium ion

HRID 307619Notes

Reaction equation

HRID 307619 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][O:22][CH2:23][C:24](=[O:25])[NH:26][c:27]2[c:28]([C:40](=[O:41])[O:42][CH3:43])[cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)=[O:44])[CH2:18][CH2:19]1.[Na+:46].[OH-:45]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:20]([CH2:21][O:22][CH2:23][C:24](=[O:25])[NH:26][c:27]2[c:28]([C:40](=[O:41])[O-:42])[cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)=[O:44])[CH2:18][CH2:19]1.[Na+:46]

Participants

6

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67164930Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-(4-fluorophenyl)benzoate

Product 2

HCID 923Sodium ionHCID 178521445HCID 178521445, compound

Sources & evidence

ORD record
ord-6470866465a4448eb2c9a88369998e6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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