Dimethyl Sulfoxide → Agn-190205

HRID 1115426Notes

Reaction equation

HRID 1115426 reaction equation
[C:25](=[O:26])([OH:27])[c:28]1[cH:29][cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35]1.[CH3:42][S:43](=[O:44])[CH3:45].[Cl:1][CH:2]([c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[C:9]([CH3:13])([CH3:14])[CH2:8][CH2:7][C:6]2([CH3:15])[CH3:16])[P:17](=[O:18])([O:19][CH2:20][CH3:21])[O:22][CH2:23][CH3:24].[OH2:36].[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[C:2]([c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[C:9]([CH3:13])([CH3:14])[CH2:8][CH2:7][C:6]2([CH3:15])[CH3:16])#[C:32][c:31]1[cH:30][cH:29][c:28]([C:25](=[O:26])[OH:27])[cH:35][cH:34]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 1118Sulfuric AcidHCID 120884-Formylbenzoic acidHCID 13604831Diethyl 1-chloro-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)methylphosphonate

Product 1

HCID 10314719Agn-190205

Sources & evidence

ORD record
ord-8ba80072f6b74f43ab8f89840aa0ef73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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