HRID2318910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID181649

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

C5H4N4O

结构：O=C(O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

HCID77548098

未命名化合物

HCID77548131

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C1CC(NC(=O)c2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C(=O)N(CC(F)(F)F)C1C

HCID76514704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abf3753412754e3a9331bf11440bef76
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

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