Trifluoroacetic acid → HCID 178437231, compound

HRID 1127227Notes

Reaction equation

[C:94]([CH3:95])([CH3:96])([CH3:97])[O:98][C:99]([NH:100][CH:101]1[CH2:102][NH:103][CH2:104][CH2:105]1)=[O:106].[Cl:1][c:2]1[n:3][c:4]([NH:25][CH2:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:24])[CH:13]([OH:23])[CH:14]([n:16]4[n:17][cH:18][c:19]([CH2:21][CH3:22])[cH:20]4)[CH2:15]3)[c:9]2[n:10]1.[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46].[c:47]1([CH:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH2:55][NH:56][c:57]2[n:58][c:59]([NH:60][CH2:61][CH2:62][N:63]3[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]3)[n:69][c:70]3[c:71]2[n:72][cH:73][n:74]3[CH:75]2[CH2:76][CH:77]([n:78]3[cH:79][c:80]([CH2:81][OH:82])[cH:83][n:84]3)[CH:85]([OH:86])[CH:87]2[OH:88])[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[c:2]1([N:103]2[CH2:102][CH:101]([NH:100][C:99]([O:98][C:94]([CH3:95])([CH3:96])[CH3:97])=[O:106])[CH2:105][CH2:104]2)[n:3][c:4]([NH:25][CH2:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:24])[CH:13]([OH:23])[CH:14]([n:16]4[n:17][cH:18][c:19]([CH2:21][CH3:22])[cH:20]4)[CH2:15]3)[c:9]2[n:10]1

Participants

Reactant 4

HCID 6422Trifluoroacetic acid

HCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamate

HCID 693496463-[6-(2,2-Diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol

HCID 178437221HCID 178437221, compound

Product 1

HCID 178437231HCID 178437231, compound

Sources & evidence

ORD record: ord-9840288008404a8c95278e2035ef53a2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…