HRID311400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc2c(F)c(Oc3ccnc(CO)n3)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1

HCID59394538

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(F)c(Oc3ccnc(CNCCO)n3)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1

HCID59394428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-158dc2a800e8446599a8f3a950e4fc02
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

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