Dichloromethane → 3-{2-[2-(2-{4-[4-(3,5-Dioxo-hexyl)-phenylcarbamoyl]-butyrylamino}-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester

HRID 116693Notes

Reaction equation

HRID 116693 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36]([CH2:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47][NH2:48])=[O:49].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[Cl:59][CH2:60][Cl:61].[O:1]=[C:2]1[CH2:3][CH2:4][C:5](=[O:6])[N:7]1[O:8][C:9]([CH2:10][CH2:11][CH2:12][C:13]([NH:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][C:23]([CH2:24][C:25]([CH3:26])=[O:27])=[O:28])[cH:19][cH:20]1)=[O:29])=[O:30]>>[C:9]([CH2:10][CH2:11][CH2:12][C:13]([NH:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][C:23]([CH2:24][C:25]([CH3:26])=[O:27])=[O:28])[cH:19][cH:20]1)=[O:29])(=[O:30])[NH:48][CH2:47][CH2:46][O:45][CH2:44][CH2:43][O:42][CH2:41][CH2:40][O:39][CH2:38][CH2:37][C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:49]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 16218573tert-Butyl 12-amino-4,7,10-trioxadodecanoateHCID 576387144-[4-(3,5-Dioxo-hexyl)-phenylcarbamoyl]-butyric acid 2,5-dioxo-pyrrolidin-1-yl ester

Product 1

HCID 670685163-{2-[2-(2-{4-[4-(3,5-Dioxo-hexyl)-phenylcarbamoyl]-butyrylamino}-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester

Sources & evidence

ORD record
ord-069ce58577374aba97bf56ed38df9884
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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