Toluene → HCID 18957141, compound

HRID 152247Notes

Reaction equation

HRID 152247 reaction equation
[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:1]1([NH:7][c:8]2[n:9][n:10][n:11]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:34][C:35]([Cl:36])=[O:37].[F:38][c:39]1[c:40]([NH2:41])[cH:42][cH:43][c:44]([F:46])[cH:45]1>>[CH:1]1([N:7]([c:8]2[n:9][n:10][n:11]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[n:12]2)[C:35](=[O:37])[NH:41][c:40]2[c:39]([F:38])[cH:45][c:44]([F:46])[cH:43][cH:42]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6371PhosgeneHCID 97092,4-DifluoroanilineHCID 81531DiisopropylethylamineHCID 18957138HCID 18957138, compound

Product 1

HCID 18957141HCID 18957141, compound

Sources & evidence

ORD record
ord-f037d36eca94474fa557bd8b856f6fb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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