Sodium ion → HCID 18454886, compound

HRID 170571Notes

Reaction equation

HRID 170571 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:39](=[O:40])[O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:15][CH2:16][N:17]([C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:18][CH2:19][N:20]([CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:21][CH2:22]1.[Na+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:39](=[O:40])[O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:15][CH2:16][N:17]([C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:18][CH2:19][N:20]([CH2:23][C:24](=[O:25])[OH:26])[CH2:21][CH2:22]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 184548871,4,7-Tris-(benzyloxycarbonyl)-10-(ethoxycarbonylmethyl)-1,4,7,10-tetrazacyclododecane

Product 1

HCID 18454886HCID 18454886, compound

Sources & evidence

ORD record
ord-fbef5dd87fb049ff9bda69f61daebbd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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