HRID702775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67331

Pyridazine, 3,6-dichloro-

C4H2Cl2N2

HCID28242526

3-Chloro-6-(trifluoromethyl)pyridazine

C5H2ClF3N2

结构：CC(C)C(C)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(OCc2ccccn2)cn1

HCID57910791

未命名化合物

结构：CC(C)C(C)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(O)cn1

HCID57910802

未命名化合物

结构：CC(C)C(C)(c1ccc(-c2ccc(Cl)nn2)cc1)c1ccc(OCc2ccccn2)cn1

HCID57910808

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C)(c1ccc(-c2ccc(C(F)(F)F)nn2)cc1)c1ccc(O)cn1

HCID57910803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b6b02f0ca7a4e328fc6d8e9fb9ab660
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[cH:7][cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][n:26]1.[CH3:71][C:72]([c:73]1[cH:74][cH:75][c:76]([O:77][CH2:78][c:79]2[cH:80][cH:81][cH:82][cH:83][n:84]2)[cH:85][n:86]1)([c:87]1[cH:88][cH:89][c:90]([B:91]2[O:92][C:93]([CH3:94])([CH3:95])[C:96]([CH3:97])([CH3:98])[O:99]2)[cH:100][cH:101]1)[CH:102]([CH3:103])[CH3:104].[Cl:105][c:106]1[n:107][n:108][c:109]([Cl:110])[cH:111][cH:112]1.[Cl:28][c:29]1[n:30][n:31][c:32](-[c:33]2[cH:34][cH:35][c:36]([C:37]([CH3:38])([c:39]3[cH:40][cH:41][c:42]([O:43][CH2:44][c:45]4[cH:46][cH:47][cH:48][cH:49][n:50]4)[cH:51][n:52]3)[CH:53]([CH3:54])[CH3:55])[cH:56][cH:57]2)[cH:58][cH:59]1.[Cl:60][c:61]1[n:62][n:63][c:64]([C:67]([F:68])([F:69])[F:70])[cH:65][cH:66]1>>[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[cH:7][cH:8][c:9](-[c:61]2[n:62][n:63][c:64]([C:67]([F:68])([F:69])[F:70])[cH:65][cH:66]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][n:26]1