HRID98421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

结构：COc1c(C)c(Cc2ccc(C(=O)O)c(-c3cccnc3)c2)c(OC)c(OC)c1OC

HCID12147280

未命名化合物

HCID57501467

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(-c3cccnc3)c2)c(OC)c(OC)c1OC

HCID21919124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e542ef2b272746c38c555ed048f8efc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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