HRID689441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：Fc1cc(-c2cc(C(F)(F)F)cc3[nH]c(Cl)nc23)cc(F)c1F

HCID11638867

未命名化合物

HCID67401808

未命名化合物

PRODUCTS

生成物

结构：OCc1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)CC2)c(C(F)(F)F)c1

HCID178519827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ee202195a734184baab942f570b0822
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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