Benzene → HCID 58591305, compound

HRID 688648Notes

Reaction equation

HRID 688648 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([NH:18][CH2:19][CH:20]([CH:21]([CH2:22][c:23]3[cH:24][c:25]([F:30])[cH:26][c:27]([F:29])[cH:28]3)[NH:31][C:32]([CH3:33])=[O:34])[OH:35])[CH2:9][CH2:10][C:11]3([O:12][CH2:15][CH2:14][O:13]3)[CH2:16][CH2:17]2)[cH:5][cH:6][cH:7]1.[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Br:1][c:2]1[cH:3][c:4]([C:8]2([NH:18][CH2:19][CH:20]([CH:21]([CH2:22][c:23]3[cH:24][c:25]([F:30])[cH:26][c:27]([F:29])[cH:28]3)[NH:31][C:32]([CH3:33])=[O:34])[OH:35])[CH2:9][CH2:10][C:11](=[O:12])[CH2:16][CH2:17]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 11753221HCID 11753221, compound

Product 1

HCID 58591305HCID 58591305, compound

Sources & evidence

ORD record
ord-3422a02a14bc41d982d90fc3a5d65605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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