HRID198488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6564

1,2-Dichloropropane

C3H6Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID95864

Thionaphthene-2-carboxylic acid

C9H6O2S

HCID2733180

未命名化合物

结构：CC(C)(C)C1CCC(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)CC1

HCID22502404

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)c2cc3ccccc3s2)CC1

HCID23550151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daa2a76e438e41f2af7f82683ac66848
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:55][P+:56]([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1)([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1)[N:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]3[n:21][n:22][nH:23][n:24]3)[cH:25][cH:26]2)[CH2:9][CH2:10]1.[CH3:72][N:73]1[CH2:74][CH2:75][CH2:76][C:77]1=[O:78].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:79][CH2:80][CH:81]([Cl:82])[CH3:83].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[s:27]1[c:28]2[c:29]([cH:30][c:31]1[C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37][cH:38]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]3[n:21][n:22][nH:23][n:24]3)[cH:25][cH:26]2)[C:32]([c:31]2[s:27][c:28]3[c:29]([cH:30]2)[cH:35][cH:36][cH:37][cH:38]3)=[O:33])[CH2:9][CH2:10]1