Toluene → HCID 67327567, compound

HRID 698428Notes

Reaction equation

HRID 698428 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])[c:36]1[n:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:56][CH2:57][Cl:58].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[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])[c:36]1[n:37][cH:38][cH:39][cH:40][cH:41]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178437129HCID 178437129, compound

Product 1

HCID 67327567HCID 67327567, compound

Sources & evidence

ORD record
ord-327842d357ff490798f7dd728511b876
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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