HRID303533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID28486

Lithium ion

Li+

结构：OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID22031737

[1-(Triphenylmethyl)-1H-pyrazol-4-yl]boronic acid

C22H19BN2O2

结构：O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21

HCID24229240

1-(Benzenesulfonyl)-5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine

C13H8BrIN2O2S

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21

HCID10416758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0febf567c2f04b2c855ae319f18e9b38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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