Toluene → HCID 58017007, compound

HRID 151942Notes

Reaction equation

HRID 151942 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][c:14]3[c:15]([O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]4)[cH:16][cH:17][cH:18][c:19]32)[n:9][cH:10]1.[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:50][C:51]([O:52][CH:53]([CH3:54])[CH3:55])=[O:56].[Cl:73][CH2:74][Cl:75].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][c:14]3[c:15]([O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][CH:30]([CH3:31])[CH3:32])[CH2:25][CH2:26]4)[cH:16][cH:17][cH:18][c:19]32)[n:9][cH:10]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7917Isopropyl chloroformateHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 68843789HCID 68843789, compound

Product 1

HCID 58017007HCID 58017007, compound

Sources & evidence

ORD record
ord-8e6a1733ddb24f33a22bdbcec1cfdea0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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