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

HRID 1562806Notes

Reaction equation

HRID 1562806 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[n:39][c:40](=[O:48])[n:41]([CH2:44][C:45](=[O:46])[OH:47])[cH:42][cH:43]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:45]([CH2:44][n:41]3[c:40](=[O:48])[n:39][c:38]([NH:37][C:35]([O:34][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)=[O:36])[cH:43][cH:42]3)=[O:46])[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 7254702-(4-(((Benzyloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acidHCID 218683881-(1,3-Benzothiazol-2-ylsulfonyl)piperazin-2-one

Product 1

HCID 218684341-(Benzothiazole-2-sulfonyl)-4-{[4-N-(benzyloxycarbonyl)-cytosin-1-yl]acetyl}-piperazin-2-one

Sources & evidence

ORD record
ord-3cd4567814174dfe8c565a081a731768
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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