Benzene → HCID 86739640, compound

HRID 288653Notes

Reaction equation

HRID 288653 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]([CH2:10][CH2:11][O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([C:20](=[O:21])[NH:22][CH:23]2[C:24](=[O:45])[N:25]([CH:27]([c:28]3[cH:29][cH:30][c:31]([O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33]3)[C:42](=[O:43])[OH:44])[CH2:26]2)=[N:46][OH:47])[cH:17][cH:18]1)[C:48](=[O:49])[OH:50])([CH3:5])([CH3:6])[CH3:7].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57].[cH:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[NH2:8][CH:9]([CH2:10][CH2:11][O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([C:20](=[O:21])[NH:22][CH:23]2[C:24](=[O:45])[N:25]([CH:27]([c:28]3[cH:29][cH:30][c:31]([O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33]3)[C:42](=[O:43])[OH:44])[CH2:26]2)=[N:46][OH:47])[cH:17][cH:18]1)[C:48](=[O:49])[OH:50]

Participants

5

Reactant 4

HCID 241BenzeneHCID 3283Diethyl EtherHCID 6422Trifluoroacetic acidHCID 86739641HCID 86739641, compound

Product 1

HCID 86739640HCID 86739640, compound

Sources & evidence

ORD record
ord-fa36dcb81a604e078bd9aee2f383a008
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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