HRID1569650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21544467

3-Methoxy-5-(trifluoromethyl)benzoic acid

C9H7F3O3

结构：CC(C)(C)[Si](C)(C)Oc1cc(CC2CN(Cc3ccccc3)CCN2)ccc1Cl

HCID178455033

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2Cc2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)cc(C(F)(F)F)c1

HCID178492649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f25ce7a52a4ed6968de6145b9638f1
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:67](=[O:68])([O-:69])[OH:70].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[N:20]1[CH2:21][CH:22]([CH2:26][c:27]2[cH:28][c:29]([O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[c:30]([Cl:33])[cH:31][cH:32]2)[NH:23][CH2:24][CH2:25]1.[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:42][O:43][c:44]1[cH:45][c:46]([C:47](=[O:48])[OH:49])[cH:50][c:51]([C:53]([F:54])([F:55])[F:56])[cH:52]1.[Cl:72][CH2:73][Cl:74].[ClH:1].[Na+:71].[OH2:75].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[N:20]1[CH2:21][CH:22]([CH2:26][c:27]2[cH:28][c:29]([O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[c:30]([Cl:33])[cH:31][cH:32]2)[N:23]([C:47]([c:46]2[cH:45][c:44]([O:43][CH3:42])[cH:52][c:51]([C:53]([F:54])([F:55])[F:56])[cH:50]2)=[O:48])[CH2:24][CH2:25]1