Ammonium → 1-(2-Chloro-4-cyanophenyl)-4-(2,3-dihydrobenzofur-7-yl)-4-methyl-2-pentanol

HRID 1144315Notes

Reaction equation

HRID 1144315 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:12][CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])[CH3:18].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[C:48]1=[O:49].[Cl-:34].[Cl:1][c:2]1[c:3]([CH3:10])[cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1.[Li+:11].[NH4+:35].[O:19]1[CH2:20][CH2:21][c:22]2[c:23]1[c:24]([C:28]([CH2:29][CH:30]=[O:31])([CH3:32])[CH3:33])[cH:25][cH:26][cH:27]2>>[Cl:1][c:2]1[c:3]([CH2:10][CH:30]([CH2:29][C:28]([c:24]2[c:23]3[c:22]([cH:27][cH:26][cH:25]2)[CH2:21][CH2:20][O:19]3)([CH3:32])[CH3:33])[OH:31])[cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 8028Tetrahydrofuran2×HCID 28486Lithium ionHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 888943-Chloro-p-toluonitrileHCID 5062348DiisopropylamideHCID 589599393-(2,3-Dihydrobenzofur-7-yl)-3-methylbutanal

Product 1

HCID 589600171-(2-Chloro-4-cyanophenyl)-4-(2,3-dihydrobenzofur-7-yl)-4-methyl-2-pentanol

Sources & evidence

ORD record
ord-e2ca178651224452a53be9daaffac466
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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