Trifluoroacetic acid → 1-(Benzothiazole-2-sulfonyl)-4-{[6-N-(benzyloxycarbonyl)-adenine-9-yl]-acetyl}-piperazin-2-one

HRID 282788Notes

Reaction equation

HRID 282788 reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][C:35](=[O:36])[NH:37][c:38]1[c:39]2[n:40][cH:41][n:42]([CH2:47][C:48](=[O:49])[OH:50])[c:43]2[n:44][cH:45][n:46]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][NH:23][CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][N:23]([C:48]([CH2:47][n:42]3[cH:41][n:40][c:39]4[c:38]([NH:37][C:35]([O:34][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)=[O:36])[n:46][cH:45][n:44][c:43]43)=[O:49])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 154805149H-Purine-9-acetic acid, 6-[[(phenylmethoxy)carbonyl]amino]-HCID 218683881-(1,3-Benzothiazol-2-ylsulfonyl)piperazin-2-one

Product 1

HCID 218684591-(Benzothiazole-2-sulfonyl)-4-{[6-N-(benzyloxycarbonyl)-adenine-9-yl]-acetyl}-piperazin-2-one

Sources & evidence

ORD record
ord-ca0cc4b0e89048898c50088d43fecb08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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