HRID122166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

3 次

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID32051

Zinc (II) cation

Zn+2

HCID11232898

未命名化合物

HCID178418339

Butyllithium

C4H9Li

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

HCID59811515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9a3f2bed3142e987012964ef58e60d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3]([CH3:20])[n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][N:6]2[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17].[CH2:21]([Li:22])[CH2:23][CH2:24][CH3:25].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[CH3:32][C:33]([Cl:34])=[O:35].[Cl-:36].[Cl-:43].[Cl-:45].[NH4+:37].[Zn+2:44].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1([C:33]([CH3:32])=[O:35])[n:3]([CH3:20])[n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][N:6]2[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17]