Water → {2-[3,5-Diethyl-1-(2,4,6-trimethylphenyl)-1H-pyrazol-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}methanol

HRID 1201024Notes

Reaction equation

HRID 1201024 reaction equation
[C:48](#[N:49])[CH3:50].[CH2:1]([CH3:2])[c:3]1[n:4][n:5](-[c:12]2[c:13]([CH3:20])[cH:14][c:15]([CH3:19])[cH:16][c:17]2[CH3:18])[c:6]([CH2:10][CH3:11])[c:7]1[CH2:8][OH:9].[CH2:45]([Cl:46])[Cl:47].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][S:29](=[O:30])(=[O:31])[Cl:32].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[OH2:56].[OH:33][CH2:34][CH:35]1[NH:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[CH2:44]1>>[CH2:1]([CH3:2])[c:3]1[n:4][n:5](-[c:12]2[c:13]([CH3:20])[cH:14][c:15]([CH3:19])[cH:16][c:17]2[CH3:18])[c:6]([CH2:10][CH3:11])[c:7]1[CH2:8][N:36]1[CH:35]([CH2:34][OH:33])[CH2:44][c:43]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[CH2:37]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 3752277(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanolHCID 218373233,5-Diethyl-1-(2,4,6-trimethylphenyl)pyrazole-4-methanol

Product 1

HCID 67553028{2-[3,5-Diethyl-1-(2,4,6-trimethylphenyl)-1H-pyrazol-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}methanol

Sources & evidence

ORD record
ord-89f5a50c6d0a41d1aef9aac63a3baaad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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