Toluene → HCID 178486585, compound

HRID 1147157Notes

Reaction equation

HRID 1147157 reaction equation
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:46][CH2:47][Cl:48].[NH2:1][S:2](=[O:3])(=[O:4])[N:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][CH:14]1[CH:15]([OH:38])[CH2:16][CH:17]([O:19][c:20]2[n:21][cH:22][n:23][c:24]([NH:26][CH:27]3[CH:28]([O:36][CH3:37])[CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:25]2)[CH2:18]1.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[NH2:1][S:2](=[O:3])(=[O:4])[NH:5][CH2:13][CH:14]1[CH:15]([OH:38])[CH2:16][CH:17]([O:19][c:20]2[n:21][cH:22][n:23][c:24]([NH:26][CH:27]3[CH:28]([O:36][CH3:37])[CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:25]2)[CH2:18]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178486584HCID 178486584, compound

Product 1

HCID 178486585HCID 178486585, compound

Sources & evidence

ORD record
ord-f02457d8a5034939af0793581c9676e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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