Isopropanol → HCID 66830661, compound

HRID 2158421Notes

Reaction equation

HRID 2158421 reaction equation
[C:37]12([CH2:38][S:39]([OH:40])(=[O:41])=[O:42])[C:43]([CH3:44])([CH3:45])[CH:46]([CH2:47][CH2:48]1)[CH2:49][C:50]2=[O:51].[CH:52]([OH:53])([CH3:54])[CH3:55].[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][c:26]2[c:27]([C:28](=[O:29])[NH:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]2)[n:24]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][c:15]1[O:16][CH3:17])[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][c:15]1[O:16][CH3:17])[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12])[c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][c:26]2[c:27]([C:28](=[O:29])[NH:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]2)[n:24]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 67263851HCID 67263851, compound

Product 1

HCID 66830661HCID 66830661, compound

Sources & evidence

ORD record
ord-cd7d8109e75545e1bb6a024406b9533b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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