Sodium ion → HCID 136146792, compound

HRID 1567742Notes

Reaction equation

HRID 1567742 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[c:31](-[c:36]4[n:37][o:38][c:39](=[O:41])[nH:40]4)[cH:32][cH:33][cH:34][cH:35]3)[cH:28][cH:29]2)[c:7](=[O:22])[n:8](-[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[CH:17]([OH:21])[CH2:16][CH2:15]3)[c:9]([CH3:11])[n:10]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:56][C:57]#[N:58].[Na+:54].[Na+:55].[OH2:48].[S:49]([O-:50])([O-:51])(=[O:52])=[S:53]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[c:31](-[c:36]4[n:37][o:38][c:39](=[O:41])[nH:40]4)[cH:32][cH:33][cH:34][cH:35]3)[cH:28][cH:29]2)[c:7](=[O:22])[n:8](-[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[C:17](=[O:21])[CH2:16][CH2:15]3)[c:9]([CH3:11])[n:10]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 136146888HCID 136146888, compound

Product 1

HCID 136146792HCID 136146792, compound

Sources & evidence

ORD record
ord-a5baa5c0d11e4b2c94bd48e4fe8dbb14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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