HRID318164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID24682

Sulfur trioxide

O3S

HCID69331

4-Aminobenzyl alcohol

C7H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：NCc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

HCID59340340

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

HCID59340337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e52a5a1078454ae7a22b0334ce5dfc9e
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

[CH3:78][S:79]([CH3:80])=[O:81].[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:92][CH2:93][Cl:94].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][CH:17]([O:20][C:21]([NH:22][c:23]3[c:24](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:25][cH:26][cH:27][cH:28]3)=[O:35])[CH2:18][CH2:19]2)[cH:7][cH:8]1.[NH2:36][c:37]1[cH:38][cH:39][c:40]([CH2:41][OH:42])[cH:43][cH:44]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[S:88](=[O:89])(=[O:90])=[O:91].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[n:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[CH:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][CH:17]([O:20][C:21]([NH:22][c:23]3[c:24](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:25][cH:26][cH:27][cH:28]3)=[O:35])[CH2:18][CH2:19]2)[cH:7][cH:8]1)=[O:42]