4-Chlorophenyl Isocyanate → 3-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-carboxylic acid (3-nitro-4-fluoro-phenyl)-amide

HRID 1572746Notes

Reaction equation

HRID 1572746 reaction equation
[CH:11]1([O:16][c:17]2[cH:18][c:19](-[c:25]3[cH:26][nH:27][c:28]4[n:29][cH:30][cH:31][cH:32][c:33]34)[cH:20][cH:21][c:22]2[O:23][CH3:24])[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:6]=[C:7]=[O:8])[cH:9][cH:10]1.[F:34][c:35]1[c:36]([N+:44](=[O:45])[O-:46])[cH:37][c:38]([N:41]=[C:42]=[O:43])[cH:39][cH:40]1>>[CH:11]1([O:16][c:17]2[cH:18][c:19](-[c:25]3[cH:26][n:27]([C:42]([NH:41][c:38]4[cH:37][c:36]([N+:44](=[O:45])[O-:46])[c:35]([F:34])[cH:40][cH:39]4)=[O:43])[c:28]4[n:29][cH:30][cH:31][cH:32][c:33]34)[cH:20][cH:21][c:22]2[O:23][CH3:24])[CH2:12][CH2:13][CH2:14][CH2:15]1

Participants

4

Reactant 3

HCID 76934-Chlorophenyl IsocyanateHCID 1441174-Fluoro-3-nitrophenyl isocyanateHCID 578916763-[3-(Cyclopentyloxy)-4-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 578917713-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-carboxylic acid (3-nitro-4-fluoro-phenyl)-amide

Sources & evidence

ORD record
ord-290f346acd784ec7be5f85dae9c8980f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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