Water → HCID 77166455, compound

HRID 1559098Notes

Reaction equation

HRID 1559098 reaction equation
[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[O:37]1[CH2:38][CH:39]([OH:43])[CH:40]([OH:42])[CH2:41]1.[OH2:44].[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([OH:51])(=[O:52])=[O:53])[cH:54][cH:55]1>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][C:24]3([CH2:25][CH2:26]2)[O:27][CH:40]2[CH:39]([CH2:38][O:37][CH2:41]2)[O:43]3)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 908031,4-AnhydrothreitolHCID 670088843'-Fluoro-4'-{[5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 77166455HCID 77166455, compound

Sources & evidence

ORD record
ord-fd780b9cfece4629ac64e509ffff609e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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