HRID174094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID32051

Zinc (II) cation

Zn+2

结构：O=S(=O)(c1ccccc1)n1cc(Br)c2c(Cl)ccnc21

HCID49758958

未命名化合物

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

PRODUCTS

生成物

结构：N#Cc1cn(S(=O)(=O)c2ccccc2)c2nccc(Cl)c12

HCID49759087

1-(Benzenesulfonyl)-4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C14H8ClN3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5d30cf0b2af4bd5ba8f425f51c52aa3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]2[n:6][cH:7][cH:8][c:9]([Cl:11])[c:10]12.[C-:30]#[N:31].[C-:33]#[N:34].[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([CH3:27])[C:28]1=[O:29].[OH2:21].[Zn+2:32].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:2]1([C:22]#[N:23])[cH:3][n:4]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]2[n:6][cH:7][cH:8][c:9]([Cl:11])[c:10]12