Toluene → HCID 67327037, compound

HRID 1557833Notes

Reaction equation

HRID 1557833 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[N:5]([CH:6]([CH2:7][NH:8][c:9]1[n:10][cH:11][n:12][c:13]([N:17]2[CH2:18][CH2:19][CH:20]([c:23]3[cH:24][cH:25][c:26]4[c:31]([n:32]3)[NH:30][CH2:29][CH2:28][CH2:27]4)[CH2:21][CH2:22]2)[c:14]1[CH2:15][CH3:16])[C:33](=[O:34])[O-:35])[S:36](=[O:37])(=[O:38])[c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:61][CH2:62][Cl:63].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[NH:5]([CH:6]([CH2:7][NH:8][c:9]1[n:10][cH:11][n:12][c:13]([N:17]2[CH2:18][CH2:19][CH:20]([c:23]3[cH:24][cH:25][c:26]4[c:31]([n:32]3)[NH:30][CH2:29][CH2:28][CH2:27]4)[CH2:21][CH2:22]2)[c:14]1[CH2:15][CH3:16])[C:33](=[O:34])[OH:35])[S:36](=[O:37])(=[O:38])[c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178437130HCID 178437130, compound

Product 1

HCID 67327037HCID 67327037, compound

Sources & evidence

ORD record
ord-bb07762b17014093a681d3c027ecee90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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