Isopropanol → HCID 66830416, compound

HRID 2125707Notes

Reaction equation

HRID 2125707 reaction equation
[C:1]12([CH2:2][S:3]([OH:4])(=[O:5])=[O:6])[C:7]([CH3:8])([CH3:9])[CH:10]([CH2:11][CH2:12]1)[CH2:13][C:14]2=[O:15].[CH3:16][O:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][c:23]2[c:24]([cH:27][c:28]([NH2:31])[cH:29][cH:30]2)[CH2:25][CH2:26]1.[CH:53]([OH:54])([CH3:55])[CH3:56].[Cl:32][c:33]1[n:34][cH:35][c:36]([Cl:52])[c:37]([NH:39][c:40]2[c:41]([S:46](=[O:47])(=[O:48])[N:49]([CH3:50])[CH3:51])[cH:42][cH:43][cH:44][cH:45]2)[n:38]1>>[CH3:16][O:17][CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][c:23]2[c:24]([cH:27][c:28]([NH:31][c:33]3[n:34][cH:35][c:36]([Cl:52])[c:37]([NH:39][c:40]4[c:41]([S:46](=[O:47])(=[O:48])[N:49]([CH3:50])[CH3:51])[cH:42][cH:43][cH:44][cH:45]4)[n:38]3)[cH:29][cH:30]2)[CH2:25][CH2:26]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 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amine

Product 1

HCID 66830416HCID 66830416, compound

Sources & evidence

ORD record
ord-2857d179fcc348c8ab3e6e10fd905fdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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