HRID140518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID16778205

3-[2-(Dimethylamino)ethoxy]aniline

C10H16N2O

结构：O=C(Nc1cccc(-c2nn3cccc(F)c3c2-c2ccnc(Cl)n2)c1)c1c(F)cccc1F

HCID59513844

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4cccc(F)c34)n2)c1

HCID59513725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da3a7054e95d4d5fa0e825a95b006c38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:35][N:36]([CH2:37][CH2:38][O:39][c:40]1[cH:41][c:42]([NH2:43])[cH:44][cH:45][cH:46]1)[CH3:47].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([NH:24][C:25]([c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])=[O:34])[cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[c:13]([F:17])[cH:14][cH:15][cH:16]3)[n:7]1.[ClH:48]>>[c:2]1([NH:43][c:42]2[cH:41][c:40]([O:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:47])[cH:46][cH:45][cH:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([NH:24][C:25]([c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])=[O:34])[cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[c:13]([F:17])[cH:14][cH:15][cH:16]3)[n:7]1