Toluene → HCID 178461029, compound

HRID 1546510Notes

Reaction equation

HRID 1546510 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:25][c:26]1[c:27]([C:28](=[O:29])[O:30][CH3:31])[c:32]([F:49])[cH:33][cH:34][c:35]1[N:36]([SH:37](=[O:38])=[O:39])[CH2:40][CH2:41][CH2:42][S:43](=[O:44])(=[O:45])[CH2:46][CH2:47][CH3:48].[I:5][c:6]1[cH:7][c:8]2[c:9]([n:10][cH:11][c:12]([NH2:14])[cH:13]2)[n:15]1[S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[I:5][c:6]1[cH:7][c:8]2[c:9]([n:10][cH:11][c:12]([NH:14][C:28]([c:27]3[c:26]([F:25])[c:35]([N:36]([SH:37](=[O:38])=[O:39])[CH2:40][CH2:41][CH2:42][S:43](=[O:44])(=[O:45])[CH2:46][CH2:47][CH3:48])[cH:34][cH:33][c:32]3[F:49])=[O:29])[cH:13]2)[n:15]1[S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 16682925TrimethylaluminumHCID 67155717HCID 67155717, compoundHCID 178461030HCID 178461030, compound

Product 1

HCID 178461029HCID 178461029, compound

Sources & evidence

ORD record
ord-dbd5b6acebcc499d91dc1fff80e89621
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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