Potassium Cation → 2-[2-[2-[2-(Methoxymethyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

HRID 155404

Reaction equation

HRID 155404 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:29][O:30][CH2:31][CH:32]1[NH:33][CH2:34][CH2:35][CH2:36]1.[CH3:43][C:44]#[N:45].[K+:41].[K+:42].[n:1]1[cH:2][cH:3][c:4]2[n:5][c:6]3[c:10]([c:11](-[c:13]4[cH:14][cH:15][c:16]5[c:17]([cH:18][c:19]([CH2:21][CH2:22][O:23][S:24]([CH3:25])(=[O:26])=[O:27])[o:20]5)[cH:28]4)[n:12]12)[CH2:9][CH2:8][CH2:7]3>>[n:1]1[cH:2][cH:3][c:4]2[n:5][c:6]3[c:10]([c:11](-[c:13]4[cH:14][cH:15][c:16]5[c:17]([cH:18][c:19]([CH2:21][CH2:22][N:33]6[CH:32]([CH2:31][O:30][CH3:29])[CH2:36][CH2:35][CH2:34]6)[o:20]5)[cH:28]4)[n:12]12)[CH2:9][CH2:8][CH2:7]3

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 1439532-(Methoxymethyl)pyrrolidineHCID 58587719methanesulfonic acid 2-[5-(6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-yl)-benzo-furan-2-yl]-ethyl ester

Product 1

HCID 692556782-[2-[2-[2-(Methoxymethyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

Sources & evidence

ORD record
ord-fa2b4cd6672e4e199922860ed546df97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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