Benzene → HCID 20145110, compound

HRID 1225688Notes

Reaction equation

HRID 1225688 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[NH2:16])[CH:17]([CH3:18])[c:19]2[c:20]([N:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:21][cH:22][cH:23][cH:24]2)[cH:11][cH:12]1)=[O:31].[OH2:32].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1.[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[NH2:16])[CH:17]([CH3:18])[c:19]2[c:20]([N:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:21][cH:22][cH:23][cH:24]2)[cH:11][cH:12]1)[OH:31]

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 86742087HCID 86742087, compound

Product 1

HCID 20145110HCID 20145110, compound

Sources & evidence

ORD record
ord-0eace9af4db643398c52a0768c800a13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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