HRID1210364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID443732

3-Buten-1-amine

C4H9N

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID86040366

未命名化合物

PRODUCTS

生成物

HCID68545468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a81d9fb6154454082f07dc1e35dcfaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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