Sodium ion → HCID 68681210, compound

HRID 117585Notes

Reaction equation

HRID 117585 reaction equation
[CH3:33][S-:34].[CH3:37][CH:38]([OH:39])[CH3:40].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]2([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH2:9][CH2:10][CH:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH:18]3[CH2:19][CH2:20]3)[CH2:12][CH2:13]2)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[n:28]1.[Na+:35].[OH2:36]>>[c:2]1([S:34][CH3:33])[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]2([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH2:9][CH2:10][CH:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH:18]3[CH2:19][CH2:20]3)[CH2:12][CH2:13]2)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[n:28]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 519392MercaptomethanideHCID 86609534HCID 86609534, compound

Product 1

HCID 68681210HCID 68681210, compound

Sources & evidence

ORD record
ord-fbec6f9f91954db4b85d352210423b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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