Benzene → 1,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propionaldehyde

HRID 1535784Notes

Reaction equation

HRID 1535784 reaction equation
[CH3:1][C:2]1([CH2:16][CH2:17][CH2:18][OH:19])[O:3][CH2:4][CH2:5][n:6]2[c:7]1[c:8]([CH3:15])[c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]21.[CH3:26][S:27]([CH3:28])=[O:29].[CH3:44][OH:45].[OH2:43].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36].[OH:37][C:38]([C:39](=[O:40])[OH:41])=[O:42].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH3:1][C:2]1([CH2:16][CH2:17][CH:18]=[O:19])[O:3][CH2:4][CH2:5][n:6]2[c:7]1[c:8]([CH3:15])[c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]21

Participants

9

Reactant 8

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 962WaterHCID 971Oxalic AcidHCID 1049PyridineHCID 6422Trifluoroacetic acidHCID 213895531,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propanol

Product 1

HCID 213895661,10-Dimethyl-3,4-dihydro-1H-1,4-oxazino[4,3-a]indole-1-propionaldehyde

Sources & evidence

ORD record
ord-c22c692bccb9412d9fc473da6489bcf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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