HRID1234972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID8058

n-Hexane

C6H14

结构：CCOC(=O)c1cn(-c2nc(NCc3ccc(OC)cc3)c(F)cc2F)c2c(F)c(F)c(F)c(F)c2c1=O

HCID22121224

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2nc(NCc3ccc(OC)cc3)c(F)cc2F)c2c(F)c(F)c(F)c(NCc3ccccc3)c2c1=O

HCID22121197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6939ec09a7a24b55a36db65db81bf846
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][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[F:8][c:9]1[c:10](-[n:26]2[cH:27][c:28]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[c:29](=[O:40])[c:30]3[c:31]([F:39])[c:32]([F:38])[c:33]([F:37])[c:34]([F:36])[c:35]23)[n:11][c:12]([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:13]([F:15])[cH:14]1.[NH2:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[F:8][c:9]1[c:10](-[n:26]2[cH:27][c:28]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[c:29](=[O:40])[c:30]3[c:31]([NH:46][CH2:47][c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[c:32]([F:38])[c:33]([F:37])[c:34]([F:36])[c:35]23)[n:11][c:12]([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:13]([F:15])[cH:14]1