Sodium ion → HCID 25175429, compound

HRID 1213658Notes

Reaction equation

HRID 1213658 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]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:29](=[O:30])[O:31][CH3:32])[cH:33][c:34](-[c:37]3[cH:38][n:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[cH:46]3)[cH:35][cH:36]2)=[O:47])[CH2:18][CH2:19]1.[Na+:49].[OH-:48]>>[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:29](=[O:30])[OH:31])[cH:33][c:34](-[c:37]3[cH:38][n:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[cH:46]3)[cH:35][cH:36]2)=[O:47])[CH2:18][CH2:19]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67165172Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-quinolin-3-ylbenzoate

Product 1

HCID 25175429HCID 25175429, compound

Sources & evidence

ORD record
ord-8afd55a6f4404100bd1d2396021a566d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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