HRID2325551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID757

Glycolic acid

C2H4O3

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(N4CCNCC4)n(CC(F)(F)F)c3n2)cn1

HCID59333601

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(-c2nc(N3CCOCC3)c3nc(N4CCN(C(=O)CO)CC4)n(CC(F)(F)F)c3n2)cn1

HCID59333541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-005a895f142b42b185eda330dcd35707
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:18]([N:19]=[C:20]=[N:21][CH2:22][CH2:23][CH2:24][N:25]([CH3:26])[CH3:27])[CH3:28].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[ClH:17].[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[O:36]1[CH2:37][CH2:38][N:39]([c:42]2[c:43]3[n:44][c:45]([N:63]4[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]4)[n:46]([CH2:58][C:59]([F:60])([F:61])[F:62])[c:47]3[n:48][c:49](-[c:51]3[cH:52][n:53][c:54]([NH2:57])[n:55][cH:56]3)[n:50]2)[CH2:40][CH2:41]1.[OH2:6].[OH:1][CH2:2][C:3](=[O:4])[OH:5].[OH:7][c:8]1[c:9]2[n:10][n:11][nH:12][c:13]2[cH:14][cH:15][cH:16]1>>[OH:1][CH2:2][C:3](=[O:5])[N:66]1[CH2:65][CH2:64][N:63]([c:45]2[n:44][c:43]3[c:42]([N:39]4[CH2:38][CH2:37][O:36][CH2:41][CH2:40]4)[n:50][c:49](-[c:51]4[cH:52][n:53][c:54]([NH2:57])[n:55][cH:56]4)[n:48][c:47]3[n:46]2[CH2:58][C:59]([F:60])([F:61])[F:62])[CH2:68][CH2:67]1