Benzene, 1-iodo-3-(trifluoromethyl)- → HCID 22049345, compound

HRID 2126677Notes

Reaction equation

HRID 2126677 reaction equation
[I:1][c:2]1[cH:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1.[nH:12]1[cH:13][cH:14][c:15]2[cH:16][c:17]([CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([c:28]4[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:18][cH:19][c:20]12>>[c:2]1(-[n:12]2[cH:13][cH:14][c:15]3[cH:16][c:17]([CH2:21][N:22]4[CH2:23][CH2:24][CH:25]([c:28]5[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]5)[CH2:26][CH2:27]4)[cH:18][cH:19][c:20]23)[cH:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1

Participants

3

Sources & evidence

ORD record
ord-150e6a0a43cc47378672b2e3ce7bf1ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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