HRID182899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

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

HCID239820

4-(dimethylamino)butanoic acid

C6H13NO2

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12

HCID21978777

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID88307155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeb8eeb8d9f84e24bf94d8b7971b7427
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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