HRID662509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID33558

Azide

N3-

结构：O=C(N1CCOCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1

HCID68718081

未命名化合物

PRODUCTS

生成物

结构：NCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCOCC1

HCID10238126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef65befae1e49d18bfe6684fd8c4b96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[Cl:72][CH2:73][Cl:74].[F:1][c:2]1[c:3]([C:9]2=[N:10][N:11]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[C:12]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][CH2:22][OH:23])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[N-:50]=[N+:51]=[N-:52].[Na+:48].[Na+:49].[O-:44][C:45]([OH:46])=[O:47].[OH2:81].[S:39]([Cl:40])([CH3:41])(=[O:42])=[O:43].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[F:1][c:2]1[c:3]([C:9]2=[N:10][N:11]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[C:12]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][CH2:22][NH2:34])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1