Benzene → HCID 178482322, compound

HRID 190121Notes

Reaction equation

HRID 190121 reaction equation
[CH3:26][NH2:27].[Cl-:34].[Cl-:35].[Cl-:36].[Cl-:37].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[NH:6][C:7](=[O:18])[CH2:8][C:9](=[O:17])[N:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1.[Ti+4:38].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[N:6]=[C:7]([NH:27][CH3:26])[CH2:8][C:9](=[O:17])[N:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 312Chloride4×HCID 6329MethylamineHCID 8028TetrahydrofuranHCID 89657DesmethylclobazamHCID 114942Titanium cation (4+)

Product 1

HCID 178482322HCID 178482322, compound

Sources & evidence

ORD record
ord-aa0dfcc230924c66ba800d3ff352fc62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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