Dimethyl Sulfoxide → HCID 16116975, compound

HRID 2336432Notes

Reaction equation

HRID 2336432 reaction equation
[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:1][n:2]1[c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:83][OH:84].[CH3:85][S:86]([CH3:87])=[O:88].[NH2:47][c:48]1[cH:49][cH:50][c:51]([CH3:77])[c:52]([C:53](=[O:54])[NH:55][c:56]2[cH:57][n:58][c:59]([NH:62][c:63]3[cH:64][cH:65][c:66]([N:69]4[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]4)[cH:67][cH:68]3)[n:60][cH:61]2)[cH:76]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][n:2]1[c:3]([C:11](=[O:13])[NH:47][c:48]2[cH:49][cH:50][c:51]([CH3:77])[c:52]([C:53](=[O:54])[NH:55][c:56]3[cH:57][n:58][c:59]([NH:62][c:63]4[cH:64][cH:65][c:66]([N:69]5[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]5)[cH:67][cH:68]4)[n:60][cH:61]3)[cH:76]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 276951H-Indole-2-carboxylic acid, 1-methyl-HCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 16118190HCID 16118190, compound

Product 1

HCID 16116975HCID 16116975, compound

Sources & evidence

ORD record
ord-812f371fae5e40a1a6080a252707fdcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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