HRID298109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19024425

未命名化合物

HCID19024472

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)N(C)c1ccccc1C(F)(F)F

HCID19024452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3188539805da4ce8a236a1ae6f7b8c5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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