Toluene → HCID 59424523, compound

HRID 119366Notes

Reaction equation

HRID 119366 reaction equation
[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][CH:30]4[O:31][CH2:32][CH2:33][CH2:34]4)[cH:18][cH:19]2)[s:13]3)[cH:35][cH:36][c:37]([NH:39][C:40](=[S:41])[NH:42][C:43]([CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)=[O:51])[cH:38]1.[F:59][C:60]([F:61])([F:62])[C:63]([OH:64])=[O:65]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][NH:21][CH2:29][CH:30]4[O:31][CH2:32][CH2:33][CH2:34]4)[cH:18][cH:19]2)[s:13]3)[cH:35][cH:36][c:37]([NH:39][C:40](=[S:41])[NH:42][C:43]([CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)=[O:51])[cH:38]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 59424621HCID 59424621, compound

Product 1

HCID 59424523HCID 59424523, compound

Sources & evidence

ORD record
ord-9989ccd0b4454ed39782712eb74e6b2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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