2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(4-cyano-thiophen-3-yl)-phenoxy]-propyl]-thiazole-4-carboxylic acid → HCID 46836307, compound
Reaction equation
[OH:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[c:56]([C:57]#[N:58])[cH:59][cH:60][cH:61][n:62]2)[cH:53][cH:54]1.[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38](-[c:39]5[c:40]([C:41]#[N:42])[cH:43][s:44][cH:45]5)[cH:46][cH:47]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:48][c:49]4[cH:50][cH:51][c:52](-[c:55]5[c:56]([C:57]#[N:58])[cH:59][cH:60][cH:61][n:62]5)[cH:53][cH:54]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
3
Sources & evidence
- ORD record
- ord-1620db2f7c324dc5bb2438c7d339f490
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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