HRID148636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24385

未命名化合物

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

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

结构：COc1nc(Br)cnc1NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID23577309

未命名化合物

HCID178477796

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C)cnc1NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID23577306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-754da28d7de24e8ca184a6517613d5f9
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

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