HRID193867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(N)c2)c1Br

HCID68836370

未命名化合物

HCID178418543

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NC(=O)c3cccnc3O)c2)c1Br

HCID178473035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12bb563fe03d46b288e9b615dc6ce86b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16].[CH3:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:75][CH2:76][Cl:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:68].[OH:25][c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][n:34]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH:24][C:28]([c:27]3[c:26]([OH:25])[n:34][cH:33][cH:32][cH:31]3)=[O:29])[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16]