Toluene → HCID 178451431, compound

HRID 125710

Reaction equation

HRID 125710 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH:8]12[N:9]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:10][CH:11]([NH:12][CH2:13]1)[CH2:14]2.[Cl:22][c:23]1[n:24][n:25][c:26](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:27][cH:28]1>>[CH:8]12[N:9]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:10][CH:11]([N:12]([c:23]3[n:24][n:25][c:26](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:27][cH:28]3)[CH2:13]1)[CH2:14]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 885153-Chloro-6-phenylpyridazineHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate

Product 1

HCID 178451431HCID 178451431, compound

Sources & evidence

ORD record
ord-5cf6b85064e84ea9a1d6a7a7c70aacd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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