1,2-Dichloroethane → 4-(1-methoxy-2-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-yl)-morpholine

HRID 1214686Notes

Reaction equation

HRID 1214686 reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH2:22]1[CH2:23][O:24][CH2:25][CH2:26][NH:27]1.[CH3:1][O:2][c:3]1[c:4]([N+:15](=[O:16])[O-:17])[cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2.[CH3:28][C:29](=[O:30])[OH:31].[Cl:18][CH2:19][CH2:20][Cl:21].[Na+:45].[Na+:47].[OH-:46]>>[CH3:1][O:2][c:3]1[c:4]([N+:15](=[O:16])[O-:17])[cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][CH:11]([N:27]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[CH2:12][CH2:13]2

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 672641411-Methoxy-2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one

Product 1

HCID 672641014-(1-methoxy-2-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-yl)-morpholine

Sources & evidence

ORD record
ord-b590f80fa08a4ccfb7a2236f1e411016
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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