Hydrochloric Acid → 4-{[2-N-(Benzyloxycarbonyl)-guanin-9-yl]acetyl}-1-(2-nitro-benzenesulfonyl)-piperazin-2-one

HRID 205083Notes

Reaction equation

HRID 205083 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[nH:13][c:14](=[O:25])[c:15]2[n:16][cH:17][n:18]([CH2:21][C:22](=[O:23])[OH:24])[c:19]2[n:20]1.[CH:79]([N:80]([CH2:81][CH3:82])[CH:83]([CH3:84])[CH3:85])([CH3:86])[CH3:87].[ClH:45].[N+:26](=[O:27])([O-:28])[c:29]1[c:30]([S:35](=[O:36])(=[O:37])[N:38]2[C:39](=[O:44])[CH2:40][NH:41][CH2:42][CH2:43]2)[cH:31][cH:32][cH:33][cH:34]1.[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH2:93].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][P+:55]([N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)([N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)[N:66]2[CH2:67][CH2:68][CH2:69][CH2:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[nH:13][c:14](=[O:25])[c:15]2[n:16][cH:17][n:18]([CH2:21][C:22](=[O:24])[N:41]3[CH2:40][C:39](=[O:44])[N:38]([S:35]([c:30]4[c:29]([N+:26](=[O:27])[O-:28])[cH:34][cH:33][cH:32][cH:31]4)(=[O:36])=[O:37])[CH2:43][CH2:42]3)[c:19]2[n:20]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 222223751-(2-Nitrophenyl)sulfonylpiperazin-2-oneHCID 1354406332-[2-(Benzyloxycarbonylamino)-6-hydroxy-purin-9-yl]acetic acid

Product 1

HCID 1363776444-{[2-N-(Benzyloxycarbonyl)-guanin-9-yl]acetyl}-1-(2-nitro-benzenesulfonyl)-piperazin-2-one

Sources & evidence

ORD record
ord-7a58f8969e3d43a7a8e4d7b7687aae0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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