Hydrochloric Acid → 1-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-yl]-5-[2-[4-(2-isopropoxycarbonylethyl)phenyl]ethyl]-1,5-diazacyclooctane
Reaction equation
[C:2](=[O:3])([OH:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][N:19]([c:23]3[n:24][c:25]4[c:26]([n:27]3[CH2:28][c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[cH:36][cH:37][cH:38][cH:39]4)[CH2:20][CH2:21][CH2:22]2)[cH:11][cH:12]1.[CH:41]([CH3:42])([CH3:43])[OH:44].[ClH:40].[Na:1]>>[C:2](=[O:3])([O:4][CH:41]([CH3:42])[CH3:43])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][N:19]([c:23]3[n:24][c:25]4[c:26]([n:27]3[CH2:28][c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[cH:36][cH:37][cH:38][cH:39]4)[CH2:20][CH2:21][CH2:22]2)[cH:11][cH:12]1Participants
5
Sources & evidence
- ORD record
- ord-dcda844bf12f4ae0b3e226341259f2be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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