HRID2330741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID24385

未命名化合物

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：C=CCN1NC(C)=C2N=C(c3ccccc3Cl)c3cc(C)c(C)cc3N=C21

HCID178456639

未命名化合物

PRODUCTS

生成物

结构：CC1=C2N=C(c3ccccc3Cl)c3cc(C)c(C)cc3N=C2NN1

HCID178421673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3784f5812ad7466f857e7ecd3f844bfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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