Dimethyl Sulfoxide → 2-Chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-methoxy-ethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-benzamide

HRID 87989Notes

Reaction equation

HRID 87989 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][O:33][CH2:34][CH2:35][Br:36].[CH3:37][S:38]([CH3:39])=[O:40].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]2([OH:15])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:16][c:17](-[n:20]2[n:21][cH:22][nH:23][c:24]2=[O:25])[cH:18][cH:19]1.[Cs+:30].[Cs+:31].[OH2:41]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]2([OH:15])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:16][c:17](-[n:20]2[n:21][cH:22][n:23]([CH2:35][CH2:34][O:33][CH3:32])[c:24]2=[O:25])[cH:18][cH:19]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 19660Carbonate IonHCID 809722-Bromoethyl methyl etherHCID 104967Cesium cation2×HCID 135492557HCID 135492557, compound

Product 1

HCID 99320472-Chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-methoxy-ethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-benzamide

Sources & evidence

ORD record
ord-668af0d764ef43489a4c89387f66c4c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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