HRID1538162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID5201202

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate

C10H19NO4

结构：OCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12

HCID22390542

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(COCc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1

HCID67411742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4df8f0ab1daf46b08ca87be896bf14fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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