Toluene → HCID 72490977, compound

HRID 286016Notes

Reaction equation

HRID 286016 reaction equation
[C-:32]#[N:33].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH3:14])[CH2:10][NH:11][CH2:12][CH2:13]1.[CH2:34]([Al+:35][CH2:36][CH3:37])[CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:58][CH:59]([CH3:60])[O-:61].[Cl:15][CH2:16][Cl:17].[O:18]=[C:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]1.[Ti+4:62]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH3:14])[CH2:10][N:11]([C:19]2([C:32]#[N:33])[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 5975CyanideHCID 6344DichloromethaneHCID 114942Titanium cation (4+)HCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 3260420Isopropanolate4×HCID 104425251-Benzyl-2-methylpiperazineHCID 16684507Diethylalumanylium

Product 1

HCID 72490977HCID 72490977, compound

Sources & evidence

ORD record
ord-62ae258ff6a94e74af278d179a79c7fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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