Methane → HCID 21450910, compound

HRID 1203517Notes

Reaction equation

HRID 1203517 reaction equation
[CH2:33]([CH:34]=[CH2:35])[NH2:36].[CH2:41]([Cl:42])[Cl:43].[CH4:32].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:25][OH:26])[n:18][n:19][c:20]2[CH2:21][N:22]([CH3:23])[CH3:24])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1.[I-:38].[K+:37].[Na+:40].[OH-:39].[S:27]([Cl:28])([Cl:29])(=[O:30])=[O:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:16]2[c:17]([CH2:25][NH:36][CH2:33][CH:34]=[CH2:35])[n:18][n:19][c:20]2[CH2:21][N:22]([CH3:23])[CH3:24])[c:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15]1

Participants

10

Reactant 9

HCID 297MethaneHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 7853AllylamineHCID 24648Sulfuryl chlorideHCID 30165Iodide IonHCID 21450879[5-Chloro-2-[3-[(dimethylamino)methyl]-5-(hydroxymethyl)-4H-1,2,4-triazol-4-yl]phenyl]phenylmethanone

Product 1

HCID 21450910HCID 21450910, compound

Sources & evidence

ORD record
ord-5afb5c5100a349c3863ae4eb261a4e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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