Sodium ion → HCID 66611145, compound

HRID 1539640Notes

Reaction equation

HRID 1539640 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]([c:11]2[n:12][c:13](-[c:18]3[cH:19][c:20]([CH2:33][N:34]([C:35]([CH2:36][Cl:37])=[O:38])[CH2:39][CH2:40][OH:41])[cH:21][n:22][c:23]3[NH:24][c:25]3[cH:26][n:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[n:14][c:15]([CH3:17])[n:16]2)[CH2:42][c:43]2[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]2)[cH:51][cH:52]1.[H-:1].[Na+:2].[OH2:53]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]([c:11]2[n:12][c:13](-[c:18]3[cH:19][c:20]([CH2:33][N:34]4[C:35](=[O:38])[CH2:36][O:41][CH2:40][CH2:39]4)[cH:21][n:22][c:23]3[NH:24][c:25]3[cH:26][n:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[n:14][c:15]([CH3:17])[n:16]2)[CH2:42][c:43]2[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]2)[cH:51][cH:52]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 166653HydrideHCID 66610585HCID 66610585, compound

Product 1

HCID 66611145HCID 66611145, compound

Sources & evidence

ORD record
ord-2abe6385fba245acab7775aae30a04c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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