Sodium ion → HCID 136146783, compound

HRID 144326Notes

Reaction equation

HRID 144326 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30](-[c:35]4[n:36][o:37][c:38](=[O:40])[nH:39]4)[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8](-[c:12]2[cH:13][c:14]([CH:18]([CH3:19])[OH:20])[cH:15][cH:16][cH:17]2)[c:9]([CH3:11])[n:10]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:55][C:56]#[N:57].[Na+:53].[Na+:54].[OH2:47].[S:48]([O-:49])([O-:50])(=[O:51])=[S:52]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30](-[c:35]4[n:36][o:37][c:38](=[O:40])[nH:39]4)[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8](-[c:12]2[cH:13][c:14]([C:18]([CH3:19])=[O:20])[cH:15][cH:16][cH:17]2)[c:9]([CH3:11])[n:10]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 136146779HCID 136146779, compound

Product 1

HCID 136146783HCID 136146783, compound

Sources & evidence

ORD record
ord-ae7c550864b447ffaddf815e12c514e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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