Toluene → HCID 57989944, compound

HRID 1146580Notes

Reaction equation

HRID 1146580 reaction equation
[CH3:40][Zn:41][CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[c:22]([F:39])[c:23]([NH:27][S:28](=[O:29])(=[O:30])[c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:24][cH:25][cH:26]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[s:12]2)[n:7]1>>[c:2]1([CH3:40])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:21]3[c:22]([F:39])[c:23]([NH:27][S:28](=[O:29])(=[O:30])[c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:24][cH:25][cH:26]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 86636588HCID 86636588, compoundHCID 178477796HCID 178477796, compound

Product 1

HCID 57989944HCID 57989944, compound

Sources & evidence

ORD record
ord-4f07d3dd6d6d4b91977e54f344b22c6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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