Diisopropylamine → 4-Bromo-2-[4-(2-methyl-pyrrolidin-1-yl)-but-1-ynyl]-phenylamine

HRID 687292

反応式

HRID 687292 の反応式
[Br:21][c:22]1[cH:23][c:24]([I:29])[c:25]([NH2:28])[cH:26][cH:27]1.[CH2:11]([CH2:12][C:13]#[CH:14])[N:15]1[CH:16]([CH3:20])[CH2:17][CH2:18][CH2:19]1.[CH:1]#[C:2][CH:3]([N:4]1[CH2:5][CH2:6][CH2:7][CH:8]1[CH3:9])[CH3:10].[CH:30]([NH:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cu:37][I:38].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH2:11]([CH2:12][C:13]#[C:14][c:24]1[cH:23][c:22]([Br:21])[cH:27][cH:26][c:25]1[NH2:28])[N:15]1[CH:16]([CH3:20])[CH2:17][CH2:18][CH2:19]1

参加物

8

反応物 7

HCID 7912DiisopropylamineHCID 11776Triphenylphosphine2 回HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 8239344-Bromo-2-iodoanilineHCID 219800091-But-3-ynyl-2-methyl-pyrrolidineHCID 219800621-Butyn-3-yl-2-methyl-pyrrolidine

生成物 1

HCID 219800934-Bromo-2-[4-(2-methyl-pyrrolidin-1-yl)-but-1-ynyl]-phenylamine

出典と根拠

ORDレコード
ord-0e7a273d2eed40bb8115b3f7d2c39df3
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

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