Trifluoroacetic acid → HCID 21868358, compound

HRID 319319Notes

Reaction equation

HRID 319319 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[c:45]2[n:46][cH:47][n:48]([CH2:53][C:54](=[O:55])[OH:56])[c:49]2[n:50][cH:51][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:48]3[cH:47][n:46][c:45]4[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][cH:51][n:50][c:49]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 15513044(6-{[(Diphenylmethoxy)carbonyl]amino}-9H-purin-9-yl)acetic acidHCID 218683881-(1,3-Benzothiazol-2-ylsulfonyl)piperazin-2-one

Product 1

HCID 21868358HCID 21868358, compound

Sources & evidence

ORD record
ord-af381a0c366f4ac38966467d0d16f0d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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