HRID2138946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID67765

2,4,6-Trifluoroaniline

C6H4F3N

HCID3280088

未命名化合物

结构：COC(=O)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(F)c(CCN4CCCCC4)cc3OC)n2)c1

HCID59452635

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cc(F)cc4F)c3)nc3ccccn23)n1

HCID59452901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1123712e09b4970b6faa3fd7eb3f76d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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