Toluene → HCID 91362495, compound

HRID 662859Notes

Reaction equation

HRID 662859 reaction equation
[CH3:54][CH2:55][CH2:56][CH2:57][N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[F-:53].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH:9]([C:10]([N:11]1[CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][O:20][C:21]1=[O:22])=[O:23])[S:24][CH2:25][C:26]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[O:27][CH2:28][C:29]([CH3:32])([CH3:33])[CH2:30][O:31]1)[c:40]1[cH:41][cH:42][c:43]([O:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:51][cH:52]1>>[N:1]1([c:2]2[cH:3][cH:4][cH:5][cH:6][cH:7]2)[CH:8]([c:40]2[cH:41][cH:42][c:43]([O:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:51][cH:52]2)[CH:9]([S:24][CH2:25][C:26]2([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[O:27][CH2:28][C:29]([CH3:32])([CH3:33])[CH2:30][O:31]2)[C:10]1=[O:23]

Participants

5

Reactant 4

HCID 1140TolueneHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 91145560HCID 91145560, compound

Product 1

HCID 91362495HCID 91362495, compound

Sources & evidence

ORD record
ord-853a217f0e7f4db1b6393727bc6fa575
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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