HRID686985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

HCID18699815

1,1-Dimethylethyl 3-[(2-aminoacetyl)amino]-1-azetidinecarboxylate

C10H19N3O3

HCID58562476

Isoquinoline, 1-chloro-7-(1,1,2,2,2-pentafluoroethyl)-

C11H5ClF5N

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(NC(=O)CNc2nccc3ccc(C(F)(F)C(F)(F)F)cc23)C1

HCID86660469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc198142c9ce4f5abd56766e68deb122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][c:11]12.[Cs+:39].[Cs+:40].[NH2:19][CH2:20][C:21](=[O:22])[NH:23][CH:24]1[CH2:25][N:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27]1.[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[Pd+2:87].[cH:41]1[cH:42][cH:43][c:44]([P:45]([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86]1>>[c:2]1([NH:19][CH2:20][C:21](=[O:22])[NH:23][CH:24]2[CH2:25][N:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27]2)[n:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][c:11]12