Toluene → HCID 86629678, compound

HRID 1147845Notes

Reaction equation

HRID 1147845 reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[NH2:27][CH2:28][c:29]1[c:30]([F:45])[cH:31][c:32]([C:33](=[O:34])[NH:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:43][cH:44]1>>[Cl:1][c:2]1[c:3]([NH:27][CH2:28][c:29]2[c:30]([F:45])[cH:31][c:32]([C:33](=[O:34])[NH:35][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:43][cH:44]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 57655973HCID 57655973, compound

Product 1

HCID 86629678HCID 86629678, compound

Sources & evidence

ORD record
ord-dc3662c1d088439098f3a75129f18234
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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