Isopropanol → HCID 66830574, compound

HRID 145375Notes

Reaction equation

HRID 145375 reaction equation
[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:39])[c:24]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[N:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]2)[n:25]1.[O:1]1[CH2:2][CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([NH2:18])[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([NH:18][c:20]4[n:21][cH:22][c:23]([Cl:39])[c:24]([NH:26][c:27]5[c:28]([S:33](=[O:34])(=[O:35])[N:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]5)[n:25]4)[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:5][CH2:6]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 574161367-morpholino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

Product 1

HCID 66830574HCID 66830574, compound

Sources & evidence

ORD record
ord-08a276a584f74bf99730b457ef238236
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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