1,2-Dichloroethane → 2,5-Dioxopyrrolidin-1-yl 18-((4-(3,5-dioxohexyl)phenyl)amino)-14,18-dioxo-4,7,10-trioxa-13-azaoctadecan-1-oate

HRID 1551609Notes

Reaction equation

HRID 1551609 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][NH:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]([NH:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][CH2:32][C:33]([CH2:34][C:35]([CH3:36])=[O:37])=[O:38])[cH:29][cH:30]1)=[O:39])=[O:40])=[O:41].[CH2:59]([Cl:60])[CH2:61][Cl:62].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:70][CH2:71][Cl:72].[Cl:73][CH2:74][Cl:75].[F:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69].[OH:51][N:52]1[C:53](=[O:58])[CH2:54][CH2:55][C:56]1=[O:57]>>[O:5]([C:6]([CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][NH:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]([NH:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][CH2:32][C:33]([CH2:34][C:35]([CH3:36])=[O:37])=[O:38])[cH:29][cH:30]1)=[O:39])=[O:40])=[O:41])[N:52]1[C:53](=[O:58])[CH2:54][CH2:55][C:56]1=[O:57]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344Dichloromethane2×HCID 6422Trifluoroacetic acidHCID 80170N-HydroxysuccinimideHCID 81531DiisopropylethylamineHCID 670685163-{2-[2-(2-{4-[4-(3,5-Dioxo-hexyl)-phenylcarbamoyl]-butyrylamino}-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester

Product 1

HCID 114563222,5-Dioxopyrrolidin-1-yl 18-((4-(3,5-dioxohexyl)phenyl)amino)-14,18-dioxo-4,7,10-trioxa-13-azaoctadecan-1-oate

Sources & evidence

ORD record
ord-1a426b05d3f24f7b947a9c62679c75bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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