HRID93766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCCCn1ccc2c(N(C)S(C)(=O)=O)cc(C(=O)O)cc21

HCID21085174

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCCCn1ccc2c(N(C)S(C)(=O)=O)cc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNCc3cccc(CC)c3)cc21

HCID21085191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87744cf756404da2818096d1153d29ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][cH:7][c:8]2[c:9]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][c:13]12.[CH2:81]([Cl:82])[Cl:83].[CH3:84][CH2:85][N:86]([CH2:87][CH3:88])[CH2:89][CH3:90].[NH2:57][CH:58]([CH:59]([CH2:60][NH:61][CH2:62][c:63]1[cH:64][c:65]([CH2:69][CH3:70])[cH:66][cH:67][cH:68]1)[OH:71])[CH2:72][c:73]1[cH:74][c:75]([F:80])[cH:76][c:77]([F:79])[cH:78]1.[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][cH:7][c:8]2[c:9]([N:17]([S:18](=[O:19])(=[O:20])[CH3:21])[CH3:22])[cH:10][c:11]([C:14](=[O:16])[NH:57][CH:58]([CH:59]([CH2:60][NH:61][CH2:62][c:63]3[cH:64][c:65]([CH2:69][CH3:70])[cH:66][cH:67][cH:68]3)[OH:71])[CH2:72][c:73]3[cH:74][c:75]([F:80])[cH:76][c:77]([F:79])[cH:78]3)[cH:12][c:13]12