Methane → HCID 77304671, compound

HRID 2147459Notes

Reaction equation

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

Participants

Reactant 5

HCID 297Methane

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 23938Palladium

HCID 77304672benzyl 4-[[4-[(3,5-dicyanophenyl)methyl]-5-morpholin-4-ylpyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Product 1

HCID 77304671HCID 77304671, compound

Sources & evidence

ORD record: ord-12388973d7e943d5b4dc2012e393e294
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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