Bicarbonate Ion → 2-(4-Fluorophenyl)-1-[4-(1-methylpyrrolidin-3-yloxy)benzyl]-6-(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline

HRID 198983Notes

Reaction equation

HRID 198983 reaction equation
[C:77](=[O:78])([OH:79])[O-:80].[CH2:41]([P:42]([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:34][N:35]1[CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]1.[CH3:85][OH:86].[Cl:82][CH2:83][Cl:84].[Cl:87][CH2:88][Cl:89].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[c:10]3[cH:11][cH:12][c:13]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:14][c:15]3[CH2:16][CH2:17]2)[cH:6][cH:7]1.[N:54]([C:55]([N:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1)=[O:62])=[N:63][C:64]([N:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71].[Na+:81]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH:37]4[CH2:36][N:35]([CH3:34])[CH2:39][CH2:38]4)[cH:31][cH:32]3)[c:10]3[cH:11][cH:12][c:13]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:14][c:15]3[CH2:16][CH2:17]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344Dichloromethane2×HCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 930741-Methyl-3-pyrrolidinolHCID 234407672-(4-Fluorophenyl)-1-(4-hydroxybenzyl)-6-(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline

Product 1

HCID 234408322-(4-Fluorophenyl)-1-[4-(1-methylpyrrolidin-3-yloxy)benzyl]-6-(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline

Sources & evidence

ORD record
ord-ad1d0c9802264500a8e4634b570cfccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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