Water → 1-(4-cyclobutyl-piperazin-1-yl)-2-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone

HRID 305116Notes

Reaction equation

HRID 305116 reaction equation
[CH2:27]1[CH2:28][CH2:29][NH:30][CH2:31]1.[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][N:13]3[CH2:14][c:15]4[cH:16][cH:17][c:18]([C:23](=[O:24])[OH:25])[cH:19][c:20]4[CH2:21][CH2:22]3)=[O:26])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:33][CH2:34][Cl:35].[OH2:32]>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][N:13]3[CH2:14][c:15]4[cH:16][cH:17][c:18]([C:23](=[O:24])[N:30]5[CH2:29][CH2:28][CH2:27][CH2:31]5)[cH:19][c:20]4[CH2:21][CH2:22]3)=[O:26])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 31268PyrrolidineHCID 574211272-[2-(4-Cyclobutyl-piperazin-1-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydro-isoquinoline-6-carboxylic acid

Product 1

HCID 247515121-(4-cyclobutyl-piperazin-1-yl)-2-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone

Sources & evidence

ORD record
ord-6065a7af2e2a4c1685bde59527f2d853
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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