Dimethyl Sulfoxide → HCID 178463459, compound

HRID 2143870Notes

Reaction equation

HRID 2143870 reaction equation
[CH3:76][S:77]([CH3:78])=[O:79].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[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].[c:63]1([NH:69][CH2:70][CH:71]2[NH:72][CH2:73][CH2:74][CH2:75]2)[cH:64][cH:65][cH:66][cH:67][cH: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])[N:72]1[CH:71]([CH2:70][NH:69][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[CH2:75][CH2:74][CH2:73]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4056869N-(pyrrolidin-2-ylmethyl)anilineHCID 86594256difluoromethyl-[methoxy-(N-methylanilino)methylidene]-(trifluoromethyl)azaniumHCID 1784635046-chloro-4-(1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline

Product 1

HCID 178463459HCID 178463459, compound

Sources & evidence

ORD record
ord-0031e7ee7bfe42e384f206d066504d84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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