1,2-Dichloroethane → 1,3-dihydro-1-{trans-4-[1-ethoxycarbonyl-4-piperidinylamino]-1-cyclohexyl}-2H-benzimidazol-2-one

HRID 207881Notes

Reaction equation

HRID 207881 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[C:44](=[O:45])([O-:46])[O-:47].[CH3:54][C:55](=[O:56])[OH:57].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:58][CH2:59][CH2:60][Cl:61].[NH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:23][CH2:24]1.[Na+:43].[Na+:48].[Na+:49].[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9](=[O:17])[nH:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1>>[CH:2]1([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:23][CH2:24]2)[CH2:3][CH2:4][CH:5]([n:8]2[c:9](=[O:17])[nH:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ion3×HCID 6212ChloroformHCID 19660Carbonate IonHCID 100867Ethyl 4-amino-1-piperidinecarboxylateHCID 2724942TriacetoxyborohydrideHCID 214716841,3-dihydro-1-(4-oxocyclohexyl)-2H-benzimidazol-2-one

Product 1

HCID 545260911,3-dihydro-1-{trans-4-[1-ethoxycarbonyl-4-piperidinylamino]-1-cyclohexyl}-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-1c75f069396b4fe5a5d239a452632412
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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