HRID1217420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12228

Methyl isocyanate

C2H3NO

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID21948358

未命名化合物

HCID22711846

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Nc1ccc(-c3cccc(C)n3)c3ccccc13)CC2

HCID22711827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-517c7f3b49514d4ebb6401ae64fa4f57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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