Toluene → HCID 67327037, compound

HRID 2153623Notes

Reaction equation

HRID 2153623 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]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]>>[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[C:40](=[O:41])[OH:42])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68454949HCID 68454949, compound

Product 1

HCID 67327037HCID 67327037, compound

Sources & evidence

ORD record
ord-adbf90c8662946cfad806a66c1023061
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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