HRID194019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID27284

Fe +2 ion

Fe+2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N)cnc21

HCID22273614

1-[Tri(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridin-5-amine

C16H27N3Si

HCID59857435

2-(2-tert-Butylphenoxy)-3-iodopyridine

C15H16INO

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Nc3cccnc3Oc3ccccc3C(C)(C)C)cnc21

HCID59857454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c2eb8660bfb4babb25d7c3cbb7f079d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[I:14])[cH:15][cH:16][cH:17][cH:18]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:19]([CH3:20])([CH3:21])[Si:22]([n:23]1[cH:24][cH:25][c:26]2[cH:27][c:28]([NH2:32])[cH:29][n:30][c:31]12)([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38].[Cl-:45].[Fe+2:90].[NH4+:46].[Na+:44].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:129]=[C:130]([CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1)[CH:139]=[CH:140][c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:91].[Pd:92].[cH:54]1[cH:55][cH:56][c:57]([P:58]([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]2)[cH:70][cH:71]1.[cH:72]1[cH:73][cH:74][c:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c-:83]2[cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[NH:32][c:28]2[cH:27][c:26]3[cH:25][cH:24][n:23]([Si:22]([CH:19]([CH3:20])[CH3:21])([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[c:31]3[n:30][cH:29]2)[cH:15][cH:16][cH:17][cH:18]1