HRID89465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID1988106

2-[4-(Trifluoromethyl)phenyl]ethan-1-amine

C9H10F3N

结构：N#Cc1c(O)c2c(-c3ccc(-c4ccccc4C=O)cc3)csc2[nH]c1=O

HCID54689942

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(O)c2c(-c3ccc(-c4ccccc4CNCCc4ccc(C(F)(F)F)cc4)cc3)csc2[nH]c1=O

HCID54678056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-048d8362e93c4f21bd52df40245bd5e7
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

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