HRID94487

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

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：CN1CCN(C2CCC(n3nc(I)c4c(N)ncnc43)CC2)CC1

HCID20817047

未命名化合物

结构：Cn1c(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nc2ccccc21

HCID22347251

1-Methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazol-2-amine

C20H24BN3O2

PRODUCTS

生成物

结构：CN1CCN(C2CCC(n3nc(-c4ccc(Nc5nc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1

HCID20817002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a7c7e9bcbf94a20be4800a48469484c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36]([NH:39][c:40]3[n:41][c:42]4[c:43]([n:44]3[CH3:45])[cH:46][cH:47][cH:48][cH:49]4)[cH:37][cH:38]2)[O:50]1.[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:63].[Pd:64].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:122]1([P:123]([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137][cH:138][cH:139][cH:140]1.[c:65]1([P:66]([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([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)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36]([NH:39][c:40]3[n:41][c:42]4[c:43]([n:44]3[CH3:45])[cH:46][cH:47][cH:48][cH:49]4)[cH:37][cH:38]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12