Hydrochloric Acid → 3-(1-(2-chloro-9H-purin-6-ylamino)ethyl)-8-methyl-2-phenylisoquinolin-1(2H)-one
Reaction equation
[CH3:75][CH2:76][OH:77].[Cl:1][c:2]1[n:3][c:4]([NH:17][CH:18]([CH3:19])[c:20]2[n:21](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:22](=[O:31])[c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[cH:29]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][O:16]3)[c:9]2[n:10]1.[Cl:43][c:44]1[n:45][c:46]([NH:53][CH:54]([CH3:55])[c:56]2[n:57](-[c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[c:58](=[O:67])[c:59]3[c:60]([CH3:66])[cH:61][cH:62][cH:63][c:64]3[cH:65]2)[c:47]2[n:48][cH:49][nH:50][c:51]2[n:52]1.[ClH:74].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[Cl:1][c:2]1[n:3][c:4]([NH:17][CH:18]([CH3:19])[c:20]2[n:21](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:22](=[O:31])[c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[cH:29]2)[c:5]2[n:6][cH:7][nH:8][c:9]2[n:10]1.[Cl:43][c:44]1[n:45][c:46]([NH:53][CH:54]([CH3:55])[c:56]2[n:57](-[c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[c:58](=[O:67])[c:59]3[c:60]([CH3:66])[cH:61][cH:62][cH:63][c:64]3[cH:65]2)[c:47]2[n:48][cH:49][nH:50][c:51]2[n:52]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4b56b9794e9246528c252e2d414a92cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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