Hydrochloric Acid → 6-Amino-9-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
Reaction equation
[CH:31]1([N:34]([CH2:35][CH:36]=[CH:37][C:38](=[O:39])[OH:40])[CH3:41])[CH2:32][CH2:33]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[ClH:30].[NH2:1][c:2]1[c:3]2[n:4](-[c:17]3[cH:18][cH:19][c:20]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:21][cH:22]3)[c:5](=[O:16])[n:6]([CH:11]3[CH2:12][NH:13][CH2:14][CH2:15]3)[c:7]2[n:8][cH:9][n:10]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[NH2:1][c:2]1[c:3]2[n:4](-[c:17]3[cH:18][cH:19][c:20]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:21][cH:22]3)[c:5](=[O:16])[n:6]([CH:11]3[CH2:12][N:13]([C:38]([CH:37]=[CH:36][CH2:35][N:34]([CH:31]4[CH2:32][CH2:33]4)[CH3:41])=[O:39])[CH2:14][CH2:15]3)[c:7]2[n:8][cH:9][n:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-127e0a5980694c2bacc046f5c0e8ae06
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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