HRID101882

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

HCID7690

Benzeneacetic acid, 4-methoxy-

C9H10O3

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CNC2CC2)C(C)C)ccc1OC

HCID68616406

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C(=O)Cc2ccc(OC)cc2)C2CC2)C(C)C)ccc1OC

HCID68618060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f1d0910cdbe41e5976775bc719c684c
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:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[N:50]1[CH2:51][CH:52]([CH2:76][NH:77][CH:78]2[CH2:79][CH2:80]2)[CH:53]([CH2:55][N:56]([C:57]([c:58]2[cH:59][c:60]([O:66][CH2:67][CH2:68][CH2:69][O:70][CH3:71])[c:61]([O:64][CH3:65])[cH:62][cH:63]2)=[O:72])[CH:73]([CH3:74])[CH3:75])[CH2:54]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]([OH:9])=[O:10])[cH:11][cH:12]1.[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[Cl:86][CH2:87][Cl:88].[ClH:31].[Na+:85].[O-:81][C:82]([OH:83])=[O:84].[OH2:20].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8](=[O:10])[N:77]([CH2:76][CH:52]2[CH2:51][N:50]([C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])[CH2:54][CH:53]2[CH2:55][N:56]([C:57]([c:58]2[cH:59][c:60]([O:66][CH2:67][CH2:68][CH2:69][O:70][CH3:71])[c:61]([O:64][CH3:65])[cH:62][cH:63]2)=[O:72])[CH:73]([CH3:74])[CH3:75])[CH:78]2[CH2:79][CH2:80]2)[cH:11][cH:12]1