1,2-Dichloroethane → [2-Benzyl-4-[4-(11-methyl-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraen-2-ylidene)piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

HRID 2343071Notes

Reaction equation

HRID 2343071 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:45][n:46]1[cH:47][cH:48][c:49]2[c:55]1[CH2:54][CH2:53][n:52]1[c:51]([n:58][cH:57][cH:56]1)[C:50]2=[C:59]1[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]1.[CH3:76][C:77](=[O:78])[OH:79].[Cl:71][CH2:72][CH2:73][Cl:74].[F:15][C:16]([c:17]1[cH:18][c:19]([C:20](=[O:21])[N:22]2[CH:23]([CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:24][C:25](=[O:28])[CH2:26][CH2:27]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44].[K+:65].[K+:66].[Na+:14].[O-:67][C:68]([O-:69])=[O:70].[OH2:75]>>[F:15][C:16]([c:17]1[cH:18][c:19]([C:20](=[O:21])[N:22]2[CH:23]([CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:24][CH:25]([N:62]3[CH2:61][CH2:60][C:59](=[C:50]4[c:49]5[cH:48][cH:47][n:46]([CH3:45])[c:55]5[CH2:54][CH2:53][n:52]5[c:51]4[n:58][cH:57][cH:56]5)[CH2:64][CH2:63]3)[CH2:26][CH2:27]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44]

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 11026356(+/-)-1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-piperidinoneHCID 112309711-Methyl-4-piperidin-4-ylidene-1,4,8,9-tetrahydro-1,5,7a-triaza-cyclopenta[f]azulene

Product 1

HCID 9896235[2-Benzyl-4-[4-(11-methyl-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraen-2-ylidene)piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

Sources & evidence

ORD record
ord-7aca9733d89549ef8183e03a158abda9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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