tert-butyl N-(pyrrolidin-3-yl)carbamate → {1-[2-(4-{2-[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetyl}-piperazin-1-yl)-acetyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester

HRID 663213Notes

Reaction equation

HRID 663213 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][CH:37]1[CH2:38][NH:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][cH:11][c:12]([CH2:14][C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([CH2:23][C:24](=[O:25])[OH:26])[CH2:21][CH2:22]3)[n:13]2)[cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][cH:11][c:12]([CH2:14][C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([CH2:23][C:24](=[O:25])[N:39]4[CH2:38][CH:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]4)[CH2:21][CH2:22]3)[n:13]2)[cH:27][cH:28]1

Participants

3

Reactant 2

HCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 59698876(4-{2-[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetyl}-piperazin-1-yl)-acetic acid

Product 1

HCID 59698888{1-[2-(4-{2-[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetyl}-piperazin-1-yl)-acetyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-dc0a8eba5d8f406ba6988cdfa3dc9769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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