Toluene → [3-(Benzo[b]thiophen-4-yloxy)-5-methyl-hexyl]-benzyl-methyl-amine

HRID 172857

Reaction equation

HRID 172857 reaction equation
[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[N:26]([CH2:27][CH2:28][CH:29]([CH2:30][CH:31]([CH3:32])[CH3:33])[OH:34])[CH3:35].[CH2:46]([P:47]([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl:59][CH2:60][Cl:61].[N:1]([C:2]([N:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1)=[O:9])=[N:10][C:11]([N:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1)=[O:18].[OH:36][c:37]1[cH:38][cH:39][cH:40][c:41]2[c:42]1[cH:43][cH:44][s:45]2>>[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[N:26]([CH2:27][CH2:28][CH:29]([CH2:30][CH:31]([CH3:32])[CH3:33])[O:34][c:37]1[cH:38][cH:39][cH:40][c:41]2[c:42]1[cH:43][cH:44][s:45]2)[CH3:35]

Participants

7

Reactant 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 13831TributylphosphineHCID 19217Benzo(b)thiophen-4-olHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 179819191-(Benzyl-methyl-amino)-5-methyl-hexan-3-ol

Product 1

HCID 10316919[3-(Benzo[b]thiophen-4-yloxy)-5-methyl-hexyl]-benzyl-methyl-amine

Sources & evidence

ORD record
ord-173fd08934c8402cad38a78e191089b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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