Benzene → Hydrochloric Acid

HRID 1537936Notes

Reaction equation

HRID 1537936 reaction equation
[C:1]([CH:2]([N:3]1[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1)[c:9]1[cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15][cH:16]1)#[N:17].[C:26](#[N:27])[CH:28]([c:29]1[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1)[N:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:41][CH2:42]1.[CH3:18][OH:19].[Cl:20][C:21]([O:22][CH2:23][CH3:24])=[O:25].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:26](#[N:27])[CH:28]([c:29]1[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1)[N:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:41][CH2:42]1.[ClH:20]

Participants

7

Reactant 5

HCID 241BenzeneHCID 887MethanolHCID 10928Ethyl chloroformateHCID 16226924HCID 16226924, compoundHCID 21388449HCID 21388449, compound

Product 2

HCID 313Hydrochloric AcidHCID 21388449HCID 21388449, compound

Sources & evidence

ORD record
ord-fefc0b8a788c4023b2bbb7125a81e3de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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