Toluene → HCID 136063844, compound

HRID 684674Notes

Reaction equation

HRID 684674 reaction equation
[CH2:40]=[C:41]([CH2:42][OH:43])[CH2:44][OH:45].[CH3:46][c:47]1[cH:48][cH:49][c:50]([S:51](=[O:52])(=[O:53])[OH:54])[cH:55][cH:56]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:34][CH2:35][CH3:36])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23](-[c:28]6[n:29][o:30][c:31](=[O:33])[nH:32]6)[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:37][cH:38][n:39]3)[CH2:6][CH2:7]1>>[O:1]1[C:2]2([CH2:3][CH2:4][CH:5]([n:8]3[c:9]4[n:10]([c:11]([CH2:34][CH2:35][CH3:36])[c:12]([CH2:15][c:16]5[cH:17][cH:18][c:19](-[c:22]6[c:23](-[c:28]7[n:29][o:30][c:31](=[O:33])[nH:32]7)[cH:24][cH:25][cH:26][cH:27]6)[cH:20][cH:21]5)[c:13]3=[O:14])[n:37][cH:38][n:39]4)[CH2:6][CH2:7]2)[O:43][CH2:42][C:41](=[CH2:40])[CH2:44]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 770481,3-Propanediol, 2-methylene-HCID 1360639444-(4-oxocyclohexyl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Product 1

HCID 136063844HCID 136063844, compound

Sources & evidence

ORD record
ord-f0f736d9f65e45a2abf7b94e439b9d31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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