HRID106063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(C)ns1

HCID58317725

未命名化合物

结构：CC(C)(C)OC(=O)NC1COCCC1Nc1nc(Cl)c2c(c1F)CN(C(=O)OC(C)(C)C)C2=O

HCID123651037

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：Cc1cc(-c2nc(NC3CCOCC3NC(=O)OC(C)(C)C)c(F)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)sn1

HCID77253052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd340e2fccf1452798c96fa893fdd124
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

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