Bicarbonate Ion → 4-[2-(2-hydroxy-ethyl)-1-oxo-1,2-dihydro-isoquinolin-7-yl]piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester

HRID 135982Notes

Reaction equation

HRID 135982 reaction equation
[Na+:5].[O-:1][C:2]([OH:3])=[O:4].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:6][CH2:7][CH2:8][n:9]1[c:10](=[O:25])[c:11]2[cH:12][c:13]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:14][cH:15][c:16]2[cH:17][cH:18]1.[cH:26]1[cH:27][cH:28][cH:29][c:30]2[c:38]1[CH:37]([CH2:39][O:40][C:41](=[O:42])[Cl:43])[c:36]1[c:31]-2[cH:32][cH:33][cH:34][cH:35]1>>[OH:6][CH2:7][CH2:8][n:9]1[c:10](=[O:25])[c:11]2[cH:12][c:13]([N:19]3[CH2:20][CH2:21][N:22]([C:41]([O:40][CH2:39][CH:37]4[c:36]5[c:31]([cH:32][cH:33][cH:34][cH:35]5)-[c:30]5[cH:29][cH:28][cH:27][cH:26][c:38]54)=[O:42])[CH2:23][CH2:24]3)[cH:14][cH:15][c:16]2[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 343679-Fluorenylmethyl chloroformateHCID 592382052-(2-Hydroxy-ethyl)-7-piperazin-1yl-isoquinolin-1-one

Product 1

HCID 592381934-[2-(2-hydroxy-ethyl)-1-oxo-1,2-dihydro-isoquinolin-7-yl]piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester

Sources & evidence

ORD record
ord-07105caea13c434ebaea823c6ee399dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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