Hydrochloric Acid → HCID 59565512, compound

HRID 122258

Reaction equation

[CH2:16]([CH3:17])[O:18][CH:19]1[CH2:20][CH2:21][CH:22]([N:25]2[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]2)[CH2:23][CH2:24]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:1]1([c:4]2[cH:5][c:6]([F:13])[c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]2)[CH2:2][CH2:3]1.[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[ClH:14].[ClH:15]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:31][CH:28]3[CH2:27][CH2:26][N:25]([CH:22]4[CH2:21][CH2:20][CH:19]([O:18][CH2:16][CH3:17])[CH2:24][CH2:23]4)[CH2:30][CH2:29]3)[c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]2)[CH2:2][CH2:3]1

Participants

Reactant 5

HCID 313Hydrochloric Acid2×

HCID 6228Dimethylformamide

HCID 81531Diisopropylethylamine

HCID 574239144-Cyclopropyl-2-fluoro-1-nitrobenzene

HCID 584091131-(trans-4-Ethoxycyclohexyl)piperidin-4-amine

Product 1

HCID 59565512HCID 59565512, compound

Sources & evidence

ORD record: ord-0afe5829d26f45cba47a1c159ba53ec7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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