1,2-Dichloroethane → Methyl 3-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]benzoate

HRID 304522Notes

Reaction equation

HRID 304522 reaction equation
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH2:73]([Cl:74])[Cl:75].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH:10]=[O:11])[cH:7][cH:8][cH:9]1)=[O:12].[CH3:65][C:66](=[O:67])[OH:68].[Cl:69][CH2:70][CH2:71][Cl:72].[F:13][C:14]([c:15]1[cH:16][c:17]([CH2:18][N:19]([CH:20]2[c:21]3[c:22]([cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[c:29]([CH3:31])[cH:30]3)[NH:23][CH2:24][CH2:25][CH2:26]2)[c:36]2[n:37][n:38][n:39]([CH3:41])[n:40]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[Na+:64]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:23]2[c:22]3[c:21]([cH:30][c:29]([CH3:31])[c:28]([C:32]([F:33])([F:34])[F:35])[cH:27]3)[CH:20]([N:19]([CH2:18][c:17]3[cH:16][c:15]([C:14]([F:13])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[c:36]3[n:37][n:38][n:39]([CH3:41])[n:40]3)[CH2:26][CH2:25][CH2:24]2)[cH:7][cH:8][cH:9]1)=[O:12]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 639145Methyl 3-formylbenzoateHCID 2724942TriacetoxyborohydrideHCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 73008418Methyl 3-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]benzoate

Sources & evidence

ORD record
ord-b30796315461407f87936b951d823a96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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