HRID2128218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1

HCID49758926

1-(4-Methylbenzene-1-sulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C20H23BN2O4S

结构：CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(Cl)n1

HCID178431484

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(N5CCOCC5C)cc(C5(S(C)(=N)=O)CC5)n4)ccnc32)cc1

HCID178427326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ff37f4fe36444509463f7683823934d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[c:37]3[c:38]([n:39][cH:40][cH:41]2)[n:42]([S:45](=[O:46])(=[O:47])[c:48]2[cH:49][cH:50][c:51]([CH3:52])[cH:53][cH:54]2)[cH:43][cH:44]3)[O:55]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[Cl:1][c:2]1[n:3][c:4]([C:15]2([S:18](=[O:19])(=[NH:20])[CH3:21])[CH2:16][CH2:17]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:62].[Pd:63]([Cl:64])[Cl:65].[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:36]2[c:37]3[c:38]([n:39][cH:40][cH:41]2)[n:42]([S:45](=[O:46])(=[O:47])[c:48]2[cH:49][cH:50][c:51]([CH3:52])[cH:53][cH:54]2)[cH:43][cH:44]3)[n:3][c:4]([C:15]2([S:18](=[O:19])(=[NH:20])[CH3:21])[CH2:16][CH2:17]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1