Water → 8-(2-Chlorophenyl)-2,2 dimethyl-8-(1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-yl)-octanoic acid ethyl ester

HRID 1121936Notes

Reaction equation

HRID 1121936 reaction equation
[C:1]([O:2][C:3](=[O:4])[n:8]1[cH:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])([CH3:25])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:31]1[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]1)[CH2:12]2)([CH3:5])([CH3:6])[CH3:7].[Cl:46][CH2:47][Cl:48].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[OH2:45]>>[nH:8]1[cH:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])([CH3:25])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:31]1[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]1)[CH2:12]2

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 675178445-[1-(2-Chlorophenyl)-7-ethoxycarbonyl-7-methyloctyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester

Product 1

HCID 569716038-(2-Chlorophenyl)-2,2 dimethyl-8-(1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-yl)-octanoic acid ethyl ester

Sources & evidence

ORD record
ord-b3115d77aafe40eeaaf1762b727dfaa7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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