Benzene → Ethyl 3-(dimethylamino)-1,2,3,4-tetrahydrocarbazole-9-propionate

HRID 1224416Notes

Reaction equation

HRID 1224416 reaction equation
[C:17]([CH:18]=[CH2:19])(=[O:20])[O:21][CH2:22][CH3:23].[CH2:25]([N+:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH2:39]([OH:40])[CH3:41].[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][c:6]2[nH:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14]2[CH2:15]1)[CH3:16].[CH3:37][OH:38].[ClH:36].[OH-:24].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][c:6]2[n:7]([CH2:19][CH2:18][C:17](=[O:20])[O:21][CH2:22][CH3:23])[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14]2[CH2:15]1)[CH3:16]

Participants

9

Reactant 8

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 961HydroxideHCID 5964BenzyltrimethylammoniumHCID 8821Ethyl AcrylateHCID 36082Cyclindole

Product 1

HCID 12361849Ethyl 3-(dimethylamino)-1,2,3,4-tetrahydrocarbazole-9-propionate

Sources & evidence

ORD record
ord-edbc406dd7fb464db4d37de07a1c4edc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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