Benzaldehyde → 4''-[1-(4-Benzylamino-2-trifluoromethyl-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide
Reaction equation
[C:62]([BH3-:63])#[N:64].[CH2:56]1[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH:48](=[O:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH:72]([OH:73])([CH3:74])[CH3:75].[NH2:1][c:2]1[cH:3][c:4]([C:44]([F:45])([F:46])[F:47])[c:5](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:6][cH:7]1.[Na+:65].[OH2:71]>>[NH:1]([c:2]1[cH:3][c:4]([C:44]([F:45])([F:46])[F:47])[c:5](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:6][cH:7]1)[CH2:48][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d0d5804fcce644c0ad8f6e7e978b656c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…