HRID1226091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(F)c3)c1C2

HCID9797370

JNJ-10198409

C18H16FN3O2

HCID11457817

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1C(=O)CC(=O)N1CCCC1)C2

HCID18445442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdcbf98bda7340659ad28ce1be3c9acb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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