HRID2343707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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+

HCID22250222

未命名化合物

结构：C=CCSC1(c2ccc(-c3ccccc3)cc2)CNC(C(=O)OC)C1

HCID67030849

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(SCC=C)(c2ccc(-c3ccccc3)cc2)CC1C(=O)OC

HCID178443679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d6cad898150444290e15869634f2c25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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