Sodium ion → 7-(5-Methyl-isoxazol-3-yl)-3-{4-[4-methyl-5-(2-methyl-quinolin-6-yl)-4 H-[1,2,4]triazol-3-yl]-butyl}-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:1][n:2]1[c:3]([CH2:18][CH2:19][CH2:20][CH:21]=[O:22])[n:4][n:5][c:6]1-[c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([CH3:17])[n:13][c:14]2[cH:15][cH:16]1.[CH3:23][c:24]1[cH:25][c:26](-[c:29]2[cH:30][c:31]3[c:32]([cH:38][cH:39]2)[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[n:27][o:28]1.[Cl:54][CH2:55][Cl:56].[Na+:53]>>[CH3:1][n:2]1[c:3]([CH2:18][CH2:19][CH2:20][CH2:21][N:35]2[CH2:34][CH2:33][c:32]3[c:31]([cH:30][c:29](-[c:26]4[cH:25][c:24]([CH3:23])[o:28][n:27]4)[cH:39][cH:38]3)[CH2:37][CH2:36]2)[n:4][n:5][c:6]1-[c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([CH3:17])[n:13][c:14]2[cH:15][cH:16]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-03c59b0f6f0b48a08982817e781dd199
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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