Water → HCID 67009562, compound

HRID 91174Notes

Reaction equation

HRID 91174 reaction equation
[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[OH2:41].[OH:36][CH2:37][CH2:38][CH2:39][OH:40].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([OH:48])(=[O:49])=[O:50])[cH:51][cH:52]1>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][C:32]3([CH2:33][CH2:34]2)[O:35][CH2:39][CH2:38][CH2:37][O:36]3)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 104421,3-PropanediolHCID 670088534'-{[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 67009562HCID 67009562, compound

Sources & evidence

ORD record
ord-9f62ba8fcac9481d85b08d353f1434aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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