Sodium ion → HCID 57006180, compound

HRID 666020Notes

Reaction equation

HRID 666020 reaction equation
[CH3:48][NH:49][C:50](=[S:51])[S-:52].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([C:11]([C:12](=[O:13])[NH:14][C:15]2([CH2:43][OH:44])[C:16](=[O:42])[N:17]([C:20]3([C:26](=[O:27])[O:28][CH:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[O:21][C:22](=[O:25])[CH2:23][CH2:24]3)[O:18][CH2:19]2)=[N:45][O:46][CH3:47])[n:10]1.[Na+:53].[OH2:54]>>[NH2:5][c:6]1[s:7][cH:8][c:9]([C:11]([C:12](=[O:13])[NH:14][C:15]2([CH2:43][OH:44])[C:16](=[O:42])[N:17]([C:20]3([C:26](=[O:27])[O:28][CH:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[O:21][C:22](=[O:25])[CH2:23][CH2:24]3)[O:18][CH2:19]2)=[N:45][O:46][CH3:47])[n:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 4532218HCID 4532218, compoundHCID 173385471HCID 173385471, compound

Product 1

HCID 57006180HCID 57006180, compound

Sources & evidence

ORD record
ord-d41ae86fa8264799868c5c791a602192
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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