HRID2341776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID14602686

未命名化合物

结构：O=C(O)CCC(=O)N(C1CC1)C1c2cc(F)ccc2N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC21

HCID71118258

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)N(C1CC1)C1c2cc(F)ccc2N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC21)OC1OC(C(=O)OCc2ccccc2)C(O)C(O)C1O

HCID78032140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cae812bae054da6b0b9fe59d2dfc2fe
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

[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:90][C:91]#[N:92].[CH3:96][OH:97].[CH:8]1([N:11]([C:12]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])=[O:18])[CH:19]2[CH:20]3[CH:21]([N:22]([C:30]([c:31]4[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]4)=[O:42])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][c:28]42)[CH2:43][CH2:44][CH2:45]3)[CH2:9][CH2:10]1.[Cl:93][CH2:94][Cl:95].[OH:70][CH:71]1[CH:72]([C:80](=[O:81])[O:82][CH2:83][c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[O:73][CH:74]([OH:79])[CH:75]([OH:78])[CH:76]1[OH:77].[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>>[CH:8]1([N:11]([C:12]([CH2:13][CH2:14][C:15](=[O:16])[O:17][CH:74]2[O:73][CH:72]([C:80](=[O:81])[O:82][CH2:83][c:84]3[cH:85][cH:86][cH:87][cH:88][cH:89]3)[CH:71]([OH:70])[CH:76]([OH:77])[CH:75]2[OH:78])=[O:18])[CH:19]2[CH:20]3[CH:21]([N:22]([C:30]([c:31]4[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]4)=[O:42])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][c:28]42)[CH2:43][CH2:44][CH2:45]3)[CH2:9][CH2:10]1