Benzene → HCID 18916562, compound

HRID 1570218Notes

Reaction equation

HRID 1570218 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:17][n:18]1[c:19]([C:33](=[O:34])[NH:35][CH2:36][CH2:37][C:38](=[NH:39])[NH2:40])[cH:20][c:21]([NH:23][C:24](=[O:25])[c:26]2[n:27]([CH3:32])[cH:28][c:29]([NH2:31])[cH:30]2)[cH:22]1.[CH3:1][n:2]1[n:3][c:4]([N+:10](=[O:11])[O-:12])[cH:5][c:6]1[C:7](=[O:8])[OH:9].[ClH:46].[Na+:45].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[S:13]([Cl:14])([Cl:15])=[O:16].[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][n:2]1[n:3][c:4]([N+:10](=[O:11])[O-:12])[cH:5][c:6]1[C:7](=[O:9])[NH:31][c:29]1[cH:28][n:27]([CH3:32])[c:26]([C:24]([NH:23][c:21]2[cH:20][c:19]([C:33](=[O:34])[NH:35][CH2:36][CH2:37][C:38](=[NH:39])[NH2:40])[n:18]([CH3:17])[cH:22]2)=[O:25])[cH:30]1

Participants

10

Reactant 9

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 15047797950-75-9HCID 5200387AKOS B024347

Product 1

HCID 18916562HCID 18916562, compound

Sources & evidence

ORD record
ord-d11e718ec1b74d28af6312f61a6d7342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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