HRID167229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID31268

Pyrrolidine

C4H9N

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

HCID11523287

未命名化合物

PRODUCTS

生成物

结构：Cn1c(-c2ccccc2N2CCCC2)nnc1C(C)(C)c1ccccn1

HCID68469316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8829edf427d6457abf8f7dd679507175
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:6][c:7]1[c:8](-[c:13]2[n:14]([CH3:27])[c:15]([C:18]([CH3:19])([CH3:20])[c:21]3[n:22][cH:23][cH:24][cH:25][cH:26]3)[n:16][n:17]2)[cH:9][cH:10][cH:11][cH:12]1.[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Na+:33].[OH2:80].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[c:51]2-[c:52]2[c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[cH:59][cH:60][c:61]2[P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH2:1]1[CH2:2][CH2:3][N:4]([c:7]2[c:8](-[c:13]3[n:14]([CH3:27])[c:15]([C:18]([CH3:19])([CH3:20])[c:21]4[n:22][cH:23][cH:24][cH:25][cH:26]4)[n:16][n:17]3)[cH:9][cH:10][cH:11][cH:12]2)[CH2:5]1