HRID1551348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID588991

6-Aminoisoquinoline

C9H8N2

结构：CCOc1cc(OC(C)C)c(F)c(C(Cl)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68812541

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc3cnccc3c2)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0475d33094a246b098ca036d59926c08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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