Sodium ion → Sodium ion

HRID 1224346Notes

Reaction equation

HRID 1224346 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]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:39](=[O:40])[O:41][CH3:42])[cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)=[O:43])[CH2:18][CH2:19]1.[Na+:45].[OH-:44]>>[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:39](=[O:40])[O-:41])[cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)=[O:43])[CH2:18][CH2:19]1.[Na+:45]

Participants

6

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 51040800Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-phenylbenzoate

Product 2

HCID 923Sodium ionHCID 178521444HCID 178521444, compound

Sources & evidence

ORD record
ord-deb5c8ad6e75419baa411dddd2a30b9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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