Trifluoroacetic acid → Benzhydryl (9-(2-(4-(benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)carbamate

HRID 932836Notes

Reaction equation

HRID 932836 reaction equation
[CH:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][C:41](=[O:42])[NH:43][c:44]1[nH:45][c:46](=[O:57])[c:47]2[n:48][cH:49][n:50]([CH2:53][C:54](=[O:55])[OH:56])[c:51]2[n:52]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:54]([CH2:53][n:50]3[cH:49][n:48][c:47]4[c:46](=[O:57])[nH:45][c:44]([NH:43][C:41]([O:40][CH:27]([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)=[O:42])[n:52][c:51]43)=[O:55])[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 218683881-(1,3-Benzothiazol-2-ylsulfonyl)piperazin-2-oneHCID 135616176(2-{[(Diphenylmethoxy)carbonyl]amino}-6-oxo-3,6-dihydro-9H-purin-9-yl)acetic acid

Product 1

HCID 136378448Benzhydryl (9-(2-(4-(benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)carbamate

Sources & evidence

ORD record
ord-638490e0c13e420eaac7bc3fa0928f8c
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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