Dimethyl Sulfoxide → HCID 178463474, compound

HRID 214265Notes

Reaction equation

HRID 214265 reaction equation
[CH3:78][S:79]([CH3:80])=[O:81].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[CH:63]1([N:69]([CH3:70])[CH2:71][CH:72]2[NH:73][CH2:74][CH2:75][CH2:76][CH2:77]2)[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([NH:15][CH:16]([CH3:17])[c:18]3[n:19][c:20]4[c:21]([nH:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[n:6][cH:7][n:8][c:9]2[cH:10][c:11]1[C:12](=[O:13])[OH:14].[F:35][CH:36]([F:37])[N+:38]([C:39]([F:40])([F:41])[F:42])=[C:43]([N:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH3:51])[O:52][CH3:53].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([NH:15][CH:16]([CH3:17])[c:18]3[n:19][c:20]4[c:21]([nH:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[n:6][cH:7][n:8][c:9]2[cH:10][c:11]1[C:12](=[O:13])[N:73]1[CH:72]([CH2:71][N:69]([CH:63]2[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]2)[CH3:70])[CH2:77][CH2:76][CH2:75][CH2:74]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 13578532N-cyclohexyl-N-methyl-N-(piperidin-2-ylmethyl)amineHCID 86594256difluoromethyl-[methoxy-(N-methylanilino)methylidene]-(trifluoromethyl)azaniumHCID 1784635046-chloro-4-(1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline

Product 1

HCID 178463474HCID 178463474, compound

Sources & evidence

ORD record
ord-74d1cab3691a449d83b1c8ea7416153f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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