Toluene → HCID 57989812, compound

HRID 145956Notes

Reaction equation

HRID 145956 reaction equation
[CH3:37][Zn:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:36])[c:19]([NH:24][S:25](=[O:26])(=[O:27])[c:28]4[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]4)[cH:20][cH:21][c:22]3[F:23])[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1>>[c:2]1([CH3:37])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:36])[c:19]([NH:24][S:25](=[O:26])(=[O:27])[c:28]4[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]4)[cH:20][cH:21][c:22]3[F:23])[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 86636591HCID 86636591, compoundHCID 178477796HCID 178477796, compound

Product 1

HCID 57989812HCID 57989812, compound

Sources & evidence

ORD record
ord-57c3513207cc495e86c5091b39e6addc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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