HRID1558412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28928

Chloro(1,1-dimethylethyl)dimethylsilane

C6H15ClSi

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N(CCc1ccc(O)c2c1OCC(=O)N2)CCN(C(=O)CCOCCc1cccc(CN2CCC3(CC2)CNCCO3)c1)C1CCCCC1

HCID58168531

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCc1ccc(O[Si](C)(C)C(C)(C)C)c2c1OCC(=O)N2)CCN(C(=O)CCOCCc1cccc(CN2CCC3(CC2)CNCCO3)c1)C1CCCCC1

HCID58168569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dc6de71ee62421286651f179b16a8d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:66]([CH3:67])([CH3:68])([CH3:69])[Si:70]([CH3:71])([CH3:72])[Cl:73].[C:74](=[O:75])([OH:76])[O-:77].[CH3:79][N:80]1[CH2:81][CH2:82][CH2:83][C:84]1=[O:85].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Na+:78].[O:1]1[CH2:2][CH2:3][NH:4][CH2:5][C:6]12[CH2:7][CH2:8][N:9]([CH2:12][c:13]1[cH:14][c:15]([CH2:16][CH2:17][O:18][CH2:19][CH2:20][C:21](=[O:22])[N:23]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:30][CH2:31][N:32]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:40][CH2:41][c:42]3[cH:43][cH:44][c:45]([OH:53])[c:46]4[c:47]3[O:48][CH2:49][C:50](=[O:52])[NH:51]4)[cH:54][cH:55][cH:56]1)[CH2:10][CH2:11]2>>[O:1]1[CH2:2][CH2:3][NH:4][CH2:5][C:6]12[CH2:7][CH2:8][N:9]([CH2:12][c:13]1[cH:14][c:15]([CH2:16][CH2:17][O:18][CH2:19][CH2:20][C:21](=[O:22])[N:23]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:30][CH2:31][N:32]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:40][CH2:41][c:42]3[cH:43][cH:44][c:45]([O:53][Si:70]([C:66]([CH3:67])([CH3:68])[CH3:69])([CH3:71])[CH3:72])[c:46]4[c:47]3[O:48][CH2:49][C:50](=[O:52])[NH:51]4)[cH:54][cH:55][cH:56]1)[CH2:10][CH2:11]2