Water → 4-Chloro-5-phenyl-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone

HRID 1209191

Reaction equation

HRID 1209191 reaction equation
[CH2:55]([CH2:56][O:57][CH3:58])[O:59][CH3:60].[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:19]3[n:20]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:21]4[cH:22][cH:23][c:24]([CH2:28][N:29]5[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]5)[cH:25][c:26]4[cH:27]3)[cH:9][c:10]1[O:11][S:12]([C:13]([F:14])([F:15])[F:16])(=[O:17])=[O:18])[C:6](=[O:42])[NH:5][CH2:4]2.[Cs+:53].[F-:52].[OH2:54].[OH:43][B:44]([OH:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:19]3[n:20]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:21]4[cH:22][cH:23][c:24]([CH2:28][N:29]5[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]5)[cH:25][c:26]4[cH:27]3)[cH:9][c:10]1-[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[C:6](=[O:42])[NH:5][CH2:4]2

Participants

7

Reactant 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 28179Fluoride IonHCID 66827Phenylboronic AcidHCID 104967Cesium cationHCID 866283294-Chloro-5-trifluoromethanesulfonyloxy-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone

Product 1

HCID 684939564-Chloro-5-phenyl-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone

Sources & evidence

ORD record
ord-5d2bc557f2cb4936a76dd5afdd1648ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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