HRID210772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID59627768

1H-Indazole-6-carboxylic acid, 4-iodo-1-(1-methylethyl)-, methyl ester

C12H13IN2O2

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

HCID178427807

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(C(C)C)c2c1

HCID59627765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b781e7ac6f4140bb2d03cdd2fd4b1f
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-:18].[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:19][c:20]1[cH:21][cH:22][c:23]([Zn+:26])[n:24][cH:25]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([I:17])[c:8]2[cH:9][n:10][n:11]([CH:14]([CH3:15])[CH3:16])[c:12]2[cH:13]1.[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([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)[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)[cH:107][cH:108]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7](-[c:23]2[cH:22][cH:21][c:20]([CH3:19])[cH:25][n:24]2)[c:8]2[cH:9][n:10][n:11]([CH:14]([CH3:15])[CH3:16])[c:12]2[cH:13]1