1,2-Dichloroethane → HCID 86634058, compound

HRID 285693Notes

Reaction equation

HRID 285693 reaction equation
[CH3:1][C:2]1([CH3:16])[c:3]2[c:4]([cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]2)[NH:5][CH2:6][CH2:7][CH2:8]1.[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[Cl:23][C:24](=[O:25])[O:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1.[Cl:45][CH2:46][CH2:47][Cl:48].[cH:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1>>[CH3:1][C:2]1([CH3:16])[c:3]2[c:4]([cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]2)[N:5]([C:24](=[O:25])[O:26][c:27]2[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]2)[CH2:6][CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 821294-Nitrophenyl chloroformateHCID 574702565,5-dimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

Product 1

HCID 86634058HCID 86634058, compound

Sources & evidence

ORD record
ord-cdf99e5fc1c44982ba905183be6b7789
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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