HRID2152629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID119047

Phenoxide

C6H5O-

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID16643314

未命名化合物

HCID67336449

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCC(Nc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ncn1

HCID53353718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d369bfb706f449193e87472b18d649d
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

[Br:17][c:18]1[n:19][n:20]2[c:21]([c:22](-[c:26]3[c:27]([Cl:33])[cH:28][c:29]([F:32])[cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)[n:34]1.[CH2:88]1[O:89][CH2:90][CH2:91][O:92][CH2:93]1.[CH3:3][c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][CH:13]([NH2:16])[CH2:14][CH2:15]2)[n:7][cH:8][n:9]1.[Cl:85][CH2:86][Cl:87].[ClH:1].[ClH:2].[Na+:84].[O-:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[c:44]3[c:68]([cH:69][cH:70][cH:71]2)[C:65]([CH3:66])([CH3:67])[c:47]2[c:46]([c:51]([P:52]([c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[cH:50][cH:49][cH:48]2)[O:45]3)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH3:3][c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][CH:13]([NH:16][c:18]3[n:19][n:20]4[c:21]([c:22](-[c:26]5[c:27]([Cl:33])[cH:28][c:29]([F:32])[cH:30][cH:31]5)[cH:23][cH:24][cH:25]4)[n:34]3)[CH2:14][CH2:15]2)[n:7][cH:8][n:9]1