Hydrochloric Acid → 4-(2-Cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]-cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid
Reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]2=[N:11][c:12]3[c:13]([cH:30][cH:31][c:32]([C:34]#[N:35])[cH:33]3)[N:14]([CH3:29])[c:15]3[c:16]2[cH:17][c:18]2[c:23]([cH:24]3)[C:22]([CH3:25])([CH3:26])[CH2:21][CH2:20][C:19]2([CH3:27])[CH3:28])[cH:8][cH:9]1)=[O:36].[ClH:39].[Na+:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH-:37].[OH2:50]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]2=[N:11][c:12]3[c:13]([cH:30][cH:31][c:32]([C:34]#[N:35])[cH:33]3)[N:14]([CH3:29])[c:15]3[c:16]2[cH:17][c:18]2[c:23]([cH:24]3)[C:22]([CH3:25])([CH3:26])[CH2:21][CH2:20][C:19]2([CH3:27])[CH3:28])[cH:8][cH:9]1)[OH:36]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-925fcfcd92584676bb75eb298ee0f9bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…