Dimethyl Sulfoxide → HCID 67040540, compound

HRID 306926Notes

Reaction equation

HRID 306926 reaction equation
[B-:36]([F:37])([F:38])([F:39])[F:40].[CH3:85][S:86]([CH3:87])=[O:88].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]2)[n:35]1.[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[P:58](=[O:59])([O:60][CH2:61][C:62]([CH3:63])([CH3:64])[NH2:65])([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:65][C:62]([CH2:61][O:60][P:58](=[O:59])([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])([CH3:63])[CH3:64])[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]2)[n:35]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 670408713-(7-Isopropylpyrido[2,3-d]pyrimidin-4-ylamino)-4-(4-(methoxycarbonylamino)phenylthio)benzoic acidHCID 866155662-Amino-2-methylpropyl di-tert-butyl phosphate

Product 1

HCID 67040540HCID 67040540, compound

Sources & evidence

ORD record
ord-0171a293eacc464589f90c2ebdb526b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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