HRID200915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID1140

Toluene

C7H8

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccc(C)cc1

HCID59432612

未命名化合物

结构：COc1cc2c(nc1OC)c(Br)cn2C(=O)OC(C)(C)C

HCID68469784

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：COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C(=O)OC(C)(C)C

HCID68471318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-697ceae180e44dce94b275746e815185
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

[Br:1][c:2]1[cH:3][n:4]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:5]2[c:6]1[n:7][c:8]([O:13][CH3:14])[c:9]([O:11][CH3:12])[cH:10]2.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:22][c:23]1[c:24]2[c:25]([n:26][cH:27][cH:28]1)[n:29]([S:45](=[O:46])(=[O:47])[c:48]1[cH:49][cH:50][c:51]([CH3:54])[cH:52][cH:53]1)[c:30]([Sn:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[cH:31]2.[Cu:64][I:65].[N:55]#[N:56].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[c:2]1(-[c:30]2[n:29]([S:45](=[O:46])(=[O:47])[c:48]3[cH:49][cH:50][c:51]([CH3:54])[cH:52][cH:53]3)[c:25]3[c:24]([c:23]([Cl:22])[cH:28][cH:27][n:26]3)[cH:31]2)[cH:3][n:4]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:5]2[c:6]1[n:7][c:8]([O:13][CH3:14])[c:9]([O:11][CH3:12])[cH:10]2