HRID1200507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID43455771

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(-c2nc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)n2)cn1

HCID57468825

未命名化合物

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(C)(C)NS(=O)(=O)c1cnc(-c2cn(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)cn2)s1

HCID57468925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcb507dc5e0d496cac1e00afc0cbbc2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[NH:43][S:44](=[O:45])(=[O:46])[c:47]1[cH:48][n:49][c:50]([Cl:52])[s:51]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:31])([c:6]1[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]2)[cH:10]1)[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[F-:53].[K+:54].[OH2:55].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:6]1(-[c:50]2[n:49][cH:48][c:47]([S:44]([NH:43][C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:45])=[O:46])[s:51]2)[n:7][cH:8][n:9](-[c:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[n:16]2)[cH:10]1