Benzene → HCID 67745318, compound

HRID 1548996Notes

Reaction equation

[CH:26]([O:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl-:42].[Cl-:43].[Cl-:44].[Cl-:45].[Cl:39][CH2:40][Cl:41].[Na+:25].[OH-:24].[OH:1][C:2]1([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:3][CH2:4][S:5][CH:6]2[CH2:7][N:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:9][CH:10]12.[Zr+4:46].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:2]1([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:3][CH2:4][S:5][CH:6]2[CH2:7][N:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:9][CH:10]12

Participants

Reactant 8

HCID 6344Dichloromethane

HCID 7914Diisopropyl Ether

HCID 115139Zirconium cation (4+)

HCID 67745319HCID 67745319, compound

Product 1

HCID 67745318HCID 67745318, compound

Sources & evidence

ORD record: ord-56940c2a3fc6472b8736ebf01b2102c8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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