5-Isocyanatoisoquinoline → N-[4-(1-azocanyl)-3-fluorobenzyl]-N'-(3-methyl-5-isoquinolinyl)urea
Reaction equation
[N:18](=[C:19]=[O:20])[c:21]1[c:22]2[cH:23][c:24]([CH3:31])[n:25][cH:26][c:27]2[cH:28][cH:29][cH:30]1.[N:1]1([c:9]2[c:10]([F:17])[cH:11][c:12]([CH2:13][NH2:14])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[N:32]([c:33]1[cH:34][cH:35][cH:36][c:37]2[c:38]1[cH:39][cH:40][n:41][cH:42]2)=[C:43]=[O:44]>>[N:1]1([c:9]2[c:10]([F:17])[cH:11][c:12]([CH2:13][NH:14][C:19]([NH:18][c:21]3[c:22]4[cH:23][c:24]([CH3:31])[n:25][cH:26][c:27]4[cH:28][cH:29][cH:30]3)=[O:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1Participants
4
Sources & evidence
- ORD record
- ord-e34d67a2593f426d81608958a73d4472
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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