Toluene → HCID 58017025, compound

HRID 292721Notes

Reaction equation

HRID 292721 reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[Cl:36][C:37](=[O:38])[O:39][CH:40]([CH3:41])[CH3:42].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[c:10]([N:19]2[CH2:20][CH2:21][c:22]3[c:23]2[n:24][c:25]([CH3:35])[n:26][c:27]3[O:28][CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:11][cH:12][c:13]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:14]1>>[F:8][c:9]1[c:10]([N:19]2[CH2:20][CH2:21][c:22]3[c:23]2[n:24][c:25]([CH3:35])[n:26][c:27]3[O:28][CH:29]2[CH2:30][CH2:31][N:32]([C:37](=[O:38])[O:39][CH:40]([CH3:41])[CH3:42])[CH2:33][CH2:34]2)[cH:11][cH:12][c:13]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:14]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7917Isopropyl chloroformateHCID 81531DiisopropylethylamineHCID 69063628HCID 69063628, compound

Product 1

HCID 58017025HCID 58017025, compound

Sources & evidence

ORD record
ord-c8e8b80a8b844bd8a0679ca1ac6a586e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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