Benzene → HCID 15586328, compound

HRID 120538Notes

Reaction equation

HRID 120538 reaction equation
[CH2:32]([CH3:33])[CH:34]1[C:35](=[O:50])[CH2:36][CH2:37][C:38]([c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)([N:47]([CH3:48])[CH3:49])[CH2:39]1.[CH3:13][N:14]([CH3:15])[C:16]1([c:17]2[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]2)[CH2:24][CH2:25][C:26](=[O:27])[CH2:28][CH2:29]1.[CH3:30][I:31].[CH3:51][CH2:52][CH2:53][CH2:54][CH3:55].[CH3:67][OH:68].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Li:8][CH2:9][CH2:10][CH2:11][CH3:12].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH2:56].[cH:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH3:32][CH:34]1[C:35](=[O:50])[CH2:36][CH2:37][C:38]([c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)([N:47]([CH3:48])[CH3:49])[CH2:39]1

Participants

12

Reactant 11

HCID 241BenzeneHCID 887MethanolHCID 962WaterHCID 6212ChloroformHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 8003PentaneHCID 8028TetrahydrofuranHCID 125956434-(Dimethylamino)-4-(4-methylphenyl)cyclohexanoneHCID 13345276HCID 13345276, compoundHCID 178418339Butyllithium

Product 1

HCID 15586328HCID 15586328, compound

Sources & evidence

ORD record
ord-acb53364fb6e4df2b4abd0b4401e14f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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