Toluene → HCID 11363568, compound

HRID 2314402Notes

Reaction equation

HRID 2314402 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]([CH2:14][O:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][c:22]([Cl:26])[c:23]([Cl:25])[cH:24]3)([c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][c:35]([C:39]#[N:40])[cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:48][CH2:49][Cl:50].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[NH:8]1[CH2:9][CH2:10][C:11]([CH2:14][O:15][c:16]2[nH:17][c:18]3[c:19]([n:20]2)[cH:21][c:22]([Cl:26])[c:23]([Cl:25])[cH:24]3)([c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][c:35]([C:39]#[N:40])[cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 11157447HCID 11157447, compound

Product 1

HCID 11363568HCID 11363568, compound

Sources & evidence

ORD record
ord-0f7b8cab69324042b4738d9ea0dcc70d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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