Water → 2-{3-[4-(2-Pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-propyl}-isoindole-1,3-dione

HRID 2321522Notes

Reaction equation

HRID 2321522 reaction equation
[Br:26][CH2:27][CH2:28][CH2:29][N:30]1[C:31](=[O:40])[c:32]2[c:33]([cH:36][cH:37][cH:38][cH:39]2)[C:34]1=[O:35].[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cs+:45].[Cs+:46].[OH2:52].[n:1]1[c:2](-[c:7]2[c:8](-[c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([OH:25])[cH:22][cH:23][c:24]34)[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[c:8](-[c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([O:25][CH2:27][CH2:28][CH2:29][N:30]5[C:31](=[O:40])[c:32]6[c:33]([cH:36][cH:37][cH:38][cH:39]6)[C:34]5=[O:35])[cH:22][cH:23][c:24]34)[c:9]3[n:10]([n:11]2)[CH2:12][CH2:13][CH2:14]3)[cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 21611N-3-BromopropylphthalimideHCID 104967Cesium cation2×HCID 1355066154-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

Product 1

HCID 103013902-{3-[4-(2-Pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-propyl}-isoindole-1,3-dione

Sources & evidence

ORD record
ord-00bcd69775b7409fae46c89d5da96c23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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