HRID290348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID29013

Benzene, 4-bromo-1,2-dichloro-

C6H3BrCl2

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

HCID634876

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

C44H32P2

HCID4574913

未命名化合物

HCID9924013

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc(N2CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1Cl

HCID57935744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c009ad864d64834aa9fb5c906835e15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[Cl:23][c:24]1[cH:25][c:26]([Br:31])[cH:27][cH:28][c:29]1[Cl:30].[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[c:55]2-[c:56]2[c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[cH:63][cH:64][c:65]2[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>>[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([c:26]4[cH:25][c:24]([Cl:23])[c:29]([Cl:30])[cH:28][cH:27]4)[CH2:21][CH2:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1