HRID671958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31275

1,4-Dioxane

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：CCCC(CCC)N1CCc2c(C(=O)O)cc(-c3ncco3)cc2C1=O

HCID68469697

未命名化合物

结构：NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(F)(F)F)c2)CC1

HCID77242545

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCC(CCC)N1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cc(-c3ncco3)cc2C1=O

HCID74428759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c52eb0acbc1942448690e60b7eedbf73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:84]([O:85][CH2:86][CH3:87])[CH3:88].[CH3:102][CH2:103][N:104]([CH2:105][CH3:106])[CH2:107][CH3:108].[CH3:67][N:68]([CH3:69])[CH2:70][CH2:71][CH2:72][N:73]=[C:74]=[N:75][CH2:76][CH3:77].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:95][CH2:96][O:97][C:98](=[O:99])[CH3:100].[ClH:27].[ClH:66].[ClH:78].[NH2:28][CH:29]([CH:30]([CH2:31][NH:32][C:33]1([c:36]2[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]2)[CH2:34][CH2:35]1)[OH:46])[CH2:47][c:48]1[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]1.[O:89]1[CH2:90][CH2:91][O:92][CH2:93][CH2:94]1.[OH2:101].[OH:56][n:57]1[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1.[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:24](=[O:25])[OH:26])[c:9]3[c:14]([cH:15]2)[C:13](=[O:16])[N:12]([CH:17]([CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23])[CH2:11][CH2:10]3)[n:3][cH:4][cH:5]1>>[ClH:27].[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:24](=[O:25])[NH:28][CH:29]([CH:30]([CH2:31][NH:32][C:33]3([c:36]4[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]4)[CH2:34][CH2:35]3)[OH:46])[CH2:47][c:48]3[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]3)[c:9]3[c:14]([cH:15]2)[C:13](=[O:16])[N:12]([CH:17]([CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23])[CH2:11][CH2:10]3)[n:3][cH:4][cH:5]1