tert-butyl N-(pyrrolidin-3-yl)carbamate → 3-(1-Aminoethyl)-1-(4-chloro-5-isoquinolinesulfonyl)azetidine

HRID 165116Notes

Reaction equation

HRID 165116 reaction equation
[Br:1][c:2]1[c:3]2[c:4]([S:5]([Cl:6])(=[O:7])=[O:8])[cH:9][cH:10][cH:11][c:12]2[cH:13][n:14][cH:15]1.[C:16]([O:17][C:18]([NH:19][CH:20]1[CH2:21][CH2:22][NH:23][CH2:24]1)=[O:25])([CH3:26])([CH3:27])[CH3:28].[C:29]([O:30][C:31](=[O:32])[NH:36][CH:37]([CH3:38])[CH:39]1[CH2:40][N:41]([S:43](=[O:44])(=[O:45])[c:46]2[c:47]3[c:48]([Cl:56])[cH:49][n:50][cH:51][c:52]3[cH:53][cH:54][cH:55]2)[CH2:42]1)([CH3:33])([CH3:34])[CH3:35]>>[NH2:36][CH:37]([CH3:38])[CH:39]1[CH2:40][N:41]([S:43](=[O:44])(=[O:45])[c:46]2[c:47]3[c:48]([Cl:56])[cH:49][n:50][cH:51][c:52]3[cH:53][cH:54][cH:55]2)[CH2:42]1

Participants

4

Reactant 3

HCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 145800584-Bromo-5-isoquinolinesulfonyl chlorideHCID 672444683-[1-(Tert-butoxycarbonylamino)ethyl]-1-(4-chloro-5-isoquinolinesulfonyl)azetidine

Product 1

HCID 672441893-(1-Aminoethyl)-1-(4-chloro-5-isoquinolinesulfonyl)azetidine

Sources & evidence

ORD record
ord-90d535f2f7b94f41a9dede13ed80b27a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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