HRID165051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9968

Benzoic acid, 3-fluoro-

C7H5FO2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCN)cc3)cc21

HCID68501706

未命名化合物

PRODUCTS

生成物

结构：COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNC(=O)c4cccc(F)c4)cc3)cc21

HCID68501489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-366af7f2dc11427ba4556ac01ea58181
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][N:75]([CH3:76])[c:77]1[cH:78][cH:79][n:80][cH:81][cH:82]1.[Cl:66][CH2:67][Cl:68].[ClH:54].[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([cH:43]3)[N:34]([CH2:38][CH2:39][CH2:40][O:41][CH3:42])[CH2:35][CH2:36][O:37]4)[CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[OH:44][C:45](=[O:46])[c:47]1[cH:48][cH:49][cH:50][c:51]([F:52])[cH:53]1>>[NH:1]([CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([cH:43]3)[N:34]([CH2:38][CH2:39][CH2:40][O:41][CH3:42])[CH2:35][CH2:36][O:37]4)[CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)[C:45](=[O:44])[c:47]1[cH:48][cH:49][cH:50][c:51]([F:52])[cH:53]1