Water → [3-(4-{1,2-Dimethyl-1-[5-(pyridin-2-ylmethoxy)pyridin-2-yl]propyl}phenyl)-1,2,4-oxadiazol-5-yl]methyl methanesulfonate

HRID 1116145Notes

Reaction equation

HRID 1116145 reaction equation
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:6][C:7]([CH:8]([CH3:9])[CH3:10])([c:11]1[n:12][cH:13][c:14]([O:17][CH2:18][c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1)[c:25]1[cH:26][cH:27][c:28](-[c:31]2[n:32][o:33][c:34]([CH2:36][OH:37])[n:35]2)[cH:29][cH:30]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:48][CH2:49][Cl:50].[OH2:47]>>[CH3:1][S:2](=[O:4])(=[O:5])[O:37][CH2:36][c:34]1[o:33][n:32][c:31](-[c:28]2[cH:27][cH:26][c:25]([C:7]([CH3:6])([CH:8]([CH3:9])[CH3:10])[c:11]3[n:12][cH:13][c:14]([O:17][CH2:18][c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15][cH:16]3)[cH:30][cH:29]2)[n:35]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 57910795[3-(4-{1,2-Dimethyl-1-[5-(pyridin-2-ylmethoxy)pyridin-2-yl]propyl}phenyl)-1,2,4-oxadiazol-5-yl]methanol

Product 1

HCID 86635028[3-(4-{1,2-Dimethyl-1-[5-(pyridin-2-ylmethoxy)pyridin-2-yl]propyl}phenyl)-1,2,4-oxadiazol-5-yl]methyl methanesulfonate

Sources & evidence

ORD record
ord-2e89002e7ace41bd98dcb9eaf4def4cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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