HRID2138985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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+

HCID14028213

未命名化合物

结构：C=CCCOc1ccc(CNc2nc(Nc3ccc(C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074290

未命名化合物

PRODUCTS

生成物

结构：C=CCCOc1ccc(CNc2nc(Nc3ccc(C(=O)NS(=O)(=O)CC=C)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90a4d97fc580470b9c5e117873397c16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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