HRID1559408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

反应SMILES：CC(C)(C)[Si](C)(C)OC(CN)c1ccc(O)c2[nH]c(=O)ccc12

HCID21880602

未命名化合物

反应SMILES：CN(CCCC(=O)Nc1ccc(C=O)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID86646959

未命名化合物

PRODUCTS

产物

反应SMILES：CN(CCCC(=O)Nc1ccc(CNCC(O[Si](C)(C)C(C)(C)C)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID178483589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e93dea363882427ba2d703e420d5831a
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:43]([OH:44])(=[O:45])[CH3:46].[C:72]([O:73][BH-:74]([O:75][C:76](=[O:77])[CH3:78])[O:79][C:80](=[O:81])[CH3:82])(=[O:83])[CH3:84].[CH3:70][OH:71].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([O:26][C:27]([NH:28][c:29]3[c:30](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31][cH:32][cH:33][cH:34]3)=[O:41])[CH2:24][CH2:25]2)[CH3:42])[cH:7][cH:8]1.[Cl:86][CH2:87][Cl:88].[NH2:47][CH2:48][CH:49]([O:50][Si:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])[c:58]1[c:59]2[cH:60][cH:61][c:62](=[O:69])[nH:63][c:64]2[c:65]([OH:68])[cH:66][cH:67]1.[Na+:85].[OH2:89]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([O:26][C:27]([NH:28][c:29]3[c:30](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31][cH:32][cH:33][cH:34]3)=[O:41])[CH2:24][CH2:25]2)[CH3:42])[cH:7][cH:8]1)[NH:47][CH2:48][CH:49]([O:50][Si:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])[c:58]1[c:59]2[cH:60][cH:61][c:62](=[O:69])[nH:63][c:64]2[c:65]([OH:68])[cH:66][cH:67]1