Hydrochloric Acid → 1-(2-(1-Adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
Reaction equation
[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[C:24]12([CH2:34][CH2:35][NH:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[CH2:25][CH:26]3[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]1)[CH2:32]3)[CH2:33]2.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:23].[NH2:13][CH2:14][CH2:15][CH2:16][c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[C:1](=[O:2])([NH:13][CH2:14][CH2:15][CH2:16][c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1)[N:36]([CH2:35][CH2:34][C:24]12[CH2:25][CH:26]3[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]1)[CH2:32]3)[CH2:33]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH3:41]Participants
7
Sources & evidence
- ORD record
- ord-123a9bdc81c64217aa0c9d2a359ffd63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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