Isopropanol → HCID 66830603, compound

HRID 1540604Notes

Reaction equation

HRID 1540604 reaction equation
[C:49]12([CH2:50][S:51]([OH:52])(=[O:53])=[O:54])[C:55]([CH3:56])([CH3:57])[CH:58]([CH2:59][CH2:60]1)[CH2:61][C:62]2=[O:63].[CH:64]([OH:65])([CH3:66])[CH3:67].[Cl:28][c:29]1[n:30][cH:31][c:32]([Cl:48])[c:33]([NH:35][c:36]2[c:37]([S:42](=[O:43])(=[O:44])[N:45]([CH3:46])[CH3:47])[cH:38][cH:39][cH:40][cH:41]2)[n:34]1.[NH2:1][c:2]1[c:3]([O:26][CH3:27])[cH:4][c:5]2[c:6]([cH:25]1)[N:7]([CH2:19][C:20]([N:21]([CH3:22])[CH3:23])=[O:24])[C:8](=[O:18])[CH2:9][N:10]([CH2:12][C:13](=[O:14])[N:15]([CH3:16])[CH3:17])[CH2:11]2>>[NH:1]([c:2]1[c:3]([O:26][CH3:27])[cH:4][c:5]2[c:6]([cH:25]1)[N:7]([CH2:19][C:20]([N:21]([CH3:22])[CH3:23])=[O:24])[C:8](=[O:18])[CH2:9][N:10]([CH2:12][C:13](=[O:14])[N:15]([CH3:16])[CH3:17])[CH2:11]2)[c:29]1[n:30][cH:31][c:32]([Cl:48])[c:33]([NH:35][c:36]2[c:37]([S:42](=[O:43])(=[O:44])[N:45]([CH3:46])[CH3:47])[cH:38][cH:39][cH:40][cH:41]2)[n:34]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 467382872-(2,5-Dichloro-pyrimidin-4-ylamino)-N,N-dimethyl-benzenesulfonamideHCID 67264274HCID 67264274, compound

Product 1

HCID 66830603HCID 66830603, compound

Sources & evidence

ORD record
ord-b145c05f056f416dab17b3867066467a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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