HRID316140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21

HCID10247474

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21)NCc1ccccc1

HCID22097149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e78589c06df4dcb825430867f439cc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](=[O:2])([OH:3])[CH2:4][n:5]1[c:6](=[O:25])[c:7](=[O:24])[nH:8][c:9]2[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12](-[n:15]3[cH:16][cH:17][cH:18][cH:19]3)[cH:13][c:14]12.[C:58](=[O:59])([OH:60])[O-:61].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[NH2:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Na+:62].[OH2:68].[c:34]1([P:35]([N:36]=[N+:37]=[N-:38])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1](=[O:3])([CH2:4][n:5]1[c:6](=[O:25])[c:7](=[O:24])[nH:8][c:9]2[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12](-[n:15]3[cH:16][cH:17][cH:18][cH:19]3)[cH:13][c:14]12)[NH:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1