HRID190070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID961

Hydroxide

HO-

HCID7969

Benzenethiol

C6H6S

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID21749504

5-Bromo-1,3-benzoxazole

C7H4BrNO

PRODUCTS

生成物

HCID22501574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-648d2429a566413ab03f1bdd15c1c3b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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