HRID702107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID11575

Benzene, iodo-

C6H5I

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID10946306

7-(Benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

C12H8ClN3O2S

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2c(Cl)ncnc21

HCID22484552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a290988c3464416bbbdf04c279b3e314
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

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:44].[Cl-:46].[I:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[Pd:47].[Zn+2:45].[c:105]1([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)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:13]1([S:19](=[O:20])(=[O:21])[n:22]2[cH:23][cH:24][c:25]3[c:26]2[n:27][cH:28][n:29][c:30]3[Cl:31])[cH:14][cH:15][cH:16][cH:17][cH:18]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([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)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([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)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:13]1([S:19](=[O:20])(=[O:21])[n:22]2[c:23](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:24][c:25]3[c:26]2[n:27][cH:28][n:29][c:30]3[Cl:31])[cH:14][cH:15][cH:16][cH:17][cH:18]1