HRID2148137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)CC(=O)N1CCCC(O)(c2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

HCID58529359

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1C=C(c2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)CCC1

HCID58529532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c33ab39fe424a12b84d794828f7b3fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:67][CH2:68][OH:69].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:64][CH2:65][Cl:66].[F:49][C:50]([F:51])([F:52])[C:53]([O:54][C:55](=[O:56])[C:57]([F:58])([F:59])[F:60])=[O:61].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:24]1[cH:25][cH:26][c:27]3[cH:28][n:29]([CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[n:30][c:31]3[cH:32]1)[cH:9][c:10]2[C:11]1([OH:23])[CH2:12][N:13]([C:17]([CH2:18][N:19]([CH3:20])[CH3:21])=[O:22])[CH2:14][CH2:15][CH2:16]1.[Na+:63].[OH-:62]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:24]1[cH:25][cH:26][c:27]3[cH:28][n:29]([CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[n:30][c:31]3[cH:32]1)[cH:9][c:10]2[C:11]1=[CH:12][N:13]([C:17]([CH2:18][N:19]([CH3:20])[CH3:21])=[O:22])[CH2:14][CH2:15][CH2:16]1