HRID159381

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

HCID962

Water

H2O

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(N3CCOCC3)cnc21

HCID67051512

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(N3CCOCC3)cnc21

HCID67051396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-670e4987b5854bacba9496a554a2e1cd
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

[C:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[n:45]1[n:46][cH:47][c:48]([B:50]([OH:51])[OH:52])[cH:49]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:61][CH2:62][OH:63].[Cl-:53].[Li+:54].[Na+:59].[Na+:60].[OH2:105].[Pd:64]([Cl:65])[Cl:66].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([I:25])[c:13]3[c:14]2[n:15][cH:16][c:17]([N:19]2[CH2:20][CH2:21][O:22][CH2:23][CH2:24]2)[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]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:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12](-[c:48]3[cH:47][n:46][n:45]([C:26]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:49]3)[c:13]3[c:14]2[n:15][cH:16][c:17]([N:19]2[CH2:20][CH2:21][O:22][CH2:23][CH2:24]2)[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1