HRID1220518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID262903

6-Fluoroindole-3-carboxaldehyde

C9H6FNO

结构：COc1ccc(N(C(=O)CN2C(=O)Cc3nnc(-c4ccccc4)n3-c3ccccc32)C(C)C)cn1

HCID58957931

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)CN2C(=O)C(=Cc3c[nH]c4cc(F)ccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)C(C)C)cn1

HCID136347745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50cc80e341fc44c6bb08dfb2a87b308d
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

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