HRID1552950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：COc1cc(I)ccc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID21947920

(4-Iodo-2-methoxyphenyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylmethanone

C20H17IN2O2

PRODUCTS

生成物

结构：COc1cc(-c2ccccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID21947713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-febd3ae492d8452c81a4340ebe6ff31b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:26][c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[I:1][c:2]1[cH:3][c:4]([O:24][CH3:25])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[n:11]([cH:19][cH:20][cH:21]3)[CH2:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:22][cH:23]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[Pd:49].[c:107]1([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)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([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)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([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)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1(-[c:28]2[c:27]([CH3:26])[cH:32][cH:31][cH:30][cH:29]2)[cH:3][c:4]([O:24][CH3:25])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[n:11]([cH:19][cH:20][cH:21]3)[CH2:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:22][cH:23]1