HRID166174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID313215

5-methylpyrazin-2-amine

C5H7N3

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：COC(=O)c1cnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID59613527

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(Nc2cnc(C)cn2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID66745630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-477ba3e0f45041439a77b0ab8d3e357d
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[cH:17][c:18]([Cl:26])[n:19][cH:20][c:21]2[C:22](=[O:23])[O:24][CH3:25])[CH2:12][CH2:13]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:27][c:28]1[n:29][cH:30][c:31]([NH2:34])[n:32][cH:33]1.[Cs+:39].[Cs+:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[c:50]3[c:74]([cH:75][cH:76][cH:77]2)[C:71]([CH3:72])([CH3:73])[c:53]2[c:52]([c:57]([P:58]([c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[cH:56][cH:55][cH:54]2)[O:51]3)[cH:78][cH:79][cH:80][cH:81][cH:82]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[cH:17][c:18]([NH:34][c:31]3[cH:30][n:29][c:28]([CH3:27])[cH:33][n:32]3)[n:19][cH:20][c:21]2[C:22](=[O:23])[O:24][CH3:25])[CH2:12][CH2:13]1