Isopropanol → HCID 66829879, compound

HRID 1543918Notes

Reaction equation

HRID 1543918 reaction equation
[C:39]12([CH2:40][S:41]([OH:42])(=[O:43])=[O:44])[C:45]([CH3:46])([CH3:47])[CH:48]([CH2:49][CH2:50]1)[CH2:51][C:52]2=[O:53].[CH:54]([OH:55])([CH3:56])[CH3:57].[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[CH2:6][CH2:7][N:8]([CH2:11][CH:12]([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:9][CH2:10]2)[c:21]1[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]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 672640623-(7-Amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 66829879HCID 66829879, compound

Sources & evidence

ORD record
ord-b80375de7aa743aeb68069f6771e779b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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