Toluene → HCID 20540237, compound

HRID 1554099Notes

Reaction equation

HRID 1554099 reaction equation
[CH3:33][c:34]1[cH:35][cH:36][c:37]([S:38](=[O:39])(=[O:40])[OH:41])[cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:1]=[C:2]1[CH2:3][CH2:4][C:5]([C:8]#[N:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1.[c:16]1([N:22]2[CH2:23][NH:24][C:25](=[O:32])[C:26]23[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[C:2]1([N:29]2[CH2:28][CH2:27][C:26]3([N:22]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[CH2:23][NH:24][C:25]3=[O:32])[CH2:31][CH2:30]2)=[CH:3][CH2:4][C:5]([C:8]#[N:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 705561-Phenyl-1,3,8-triazaspiro(4.5)decan-4-oneHCID 912824-Oxo-1-phenylcyclohexanenitrile

Product 1

HCID 20540237HCID 20540237, compound

Sources & evidence

ORD record
ord-f11ef6099f5a4c89808b526f2c040768
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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