HRID94810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID130500

未命名化合物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC(C)(C)[Si](C)(C)OCC1CCC(=O)N1C(=O)OCc1ccccc1

HCID68412870

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)CCC(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc2ccccc2)CC1

HCID66622125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ef0d39b169f45fcb77a46941e5e26ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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