HRID2127033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：COc1cnc(Cl)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

HCID5495838

未命名化合物

反应SMILES：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(C(=O)NC(C)(C)C)cn1

HCID59693773

未命名化合物

反应SMILES：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

产物

反应SMILES：COc1cnc(-c2cnc(C(=O)NC(C)(C)C)cn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

HCID5280153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ffb0ecf3fe09461bad65d2b79327a61f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][N:12]([C:15]([C:16](=[O:17])[c:18]2[cH:19][nH:20][c:21]3[c:22]([Cl:29])[n:23][cH:24][c:25]([O:27][CH3:28])[c:26]23)=[O:30])[CH2:13][CH2:14]1.[CH3:31][C:32]([CH3:33])([CH3:34])[NH:35][C:36](=[O:37])[c:38]1[n:39][cH:40][c:41]([Sn:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[n:42][cH:43]1.[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH2:57].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([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)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][N:12]([C:15]([C:16](=[O:17])[c:18]2[cH:19][nH:20][c:21]3[c:22](-[c:41]4[cH:40][n:39][c:38]([C:36]([NH:35][C:32]([CH3:31])([CH3:33])[CH3:34])=[O:37])[cH:43][n:42]4)[n:23][cH:24][c:25]([O:27][CH3:28])[c:26]23)=[O:30])[CH2:13][CH2:14]1