Potassium Cation → 1-[2-[5-(1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)-1-benzofuran-2-yl]ethyl]pyrrolidin-3-ol

HRID 1114915Notes

Reaction equation

HRID 1114915 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][C:42]#[N:43].[K+:39].[K+:40].[OH:29][CH:30]1[CH2:31][NH:32][CH2:33][CH2:34]1.[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:32]6[CH2:31][CH:30]([OH:29])[CH2:34][CH2:33]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 982104-HydroxypyrrolidineHCID 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 1785164961-[2-[5-(1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)-1-benzofuran-2-yl]ethyl]pyrrolidin-3-ol

Sources & evidence

ORD record
ord-e93d74467ffb42959be6610aab590a23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…