9-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine → 9-{1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine

HRID 1211630Notes

Reaction equation

HRID 1211630 reaction equation
[CH3:30][S:31]([O:32][CH:33]([c:34]1[n:35][c:36](-[c:37]2[cH:38][cH:39][cH:40][c:41]([Cl:42])[cH:43]2)[o:44][n:45]1)[CH3:46])(=[O:47])=[O:48].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH2:13][N:14]3[c:15]4[n:16]([c:21](-[c:24]5[cH:25][cH:26][n:27][cH:28][cH:29]5)[n:22][n:23]4)[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:11][o:12]2)[cH:5][cH:6][cH:7]1.[n:49]1[cH:50][cH:51][c:52](-[c:53]2[n:54]3[c:60]([n:61][n:62]2)[NH:59][CH2:58][CH2:57][CH2:56][CH2:55]3)[cH:63][cH:64]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH:13]([N:14]3[c:15]4[n:16]([c:21](-[c:24]5[cH:25][cH:26][n:27][cH:28][cH:29]5)[n:22][n:23]4)[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH3:30])[n:11][o:12]2)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 113503199-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepineHCID 578379891-[5-(3-Chlorophenyl)-[1,2,4]oxadiazol-3-yl]ethyl methanesulfonateHCID 1361224673-(Pyridin-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine

Product 1

HCID 112587149-{1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine

Sources & evidence

ORD record
ord-75f6684b82614c5db506e288f7156db4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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