HRID165160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

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+

HCID21080139

未命名化合物

HCID66871268

未命名化合物

PRODUCTS

生成物

结构：C=CCOCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)NC1(C(=O)OCC)CC1C=C

HCID178459102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1aa63f72c6545f2ba89edd7cece5ff9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:21]([CH:22]=[CH2:23])[O:24][CH2:25][CH2:26][CH2:27][CH:28]([C:29](=[O:30])[OH:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH:12][C:13](=[O:14])[CH:15]2[NH:16][CH2:17][CH:18]([OH:20])[CH2:19]2)[CH:8]([CH:10]=[CH2:11])[CH2:9]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[ClH:1].[OH2:80].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH:12][C:13](=[O:14])[CH:15]2[N:16]([C:29]([CH:28]([CH2:27][CH2:26][CH2:25][O:24][CH2:21][CH:22]=[CH2:23])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:30])[CH2:17][CH:18]([OH:20])[CH2:19]2)[CH:8]([CH:10]=[CH2:11])[CH2:9]1