Thiophenol → HCID 18176624, compound

HRID 2334615Notes

Reaction equation

HRID 2334615 reaction equation
[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4](-[c:18]2[n:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:21][cH:22][cH:23]2)[c:5](-[c:8]2[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]2)[n:6][n:7]1.[SH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[c:2]1([S:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:3][c:4](-[c:18]2[n:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:21][cH:22][cH:23]2)[c:5](-[c:8]2[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]2)[n:6][n:7]1

Participants

6

Reactant 5

HCID 7969ThiophenolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 18176632HCID 18176632, compound

Product 1

HCID 18176624HCID 18176624, compound

Sources & evidence

ORD record
ord-1566288f584b48b98c9886ad5ffd229f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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