HRID148285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：COc1ccc2[nH]c3cc(C(=O)O)c4c(c3c2c1)C(=O)NC4=O

HCID11843005

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2[nH]c3cc(N)c4c(c3c2c1)C(=O)NC4=O

HCID11843006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbeaae90e6884454a195a170a5ec6527
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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