Benzene → HCID 13079712, compound

HRID 2161652Notes

Reaction equation

HRID 2161652 reaction equation
[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[c:12]([N+:42]([O-:43])=[O:44])[cH:13][c:14]([CH:15]([CH2:16][N:17]([CH:18]([CH2:19][CH2:20][c:21]2[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH3:31])[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[OH:39])[cH:40][cH:41]1.[CH3:1][OH:2].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[ClH:45].[Fe:58].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[c:12]([NH2:42])[cH:13][c:14]([CH:15]([CH2:16][N:17]([CH:18]([CH2:19][CH2:20][c:21]2[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH3:31])[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[OH:39])[cH:40][cH:41]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 887MethanolHCID 8058HexaneHCID 23925IronHCID 13079711HCID 13079711, compound

Product 1

HCID 13079712HCID 13079712, compound

Sources & evidence

ORD record
ord-dae986f587c849bebe451604c2bbba2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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