HRID173579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CNC1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1

HCID178482287

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N(C)C(=O)CCNC(=O)OC(C)(C)C)COc1ccccc1-3

HCID178497231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b63716b9913444d589eac62907d701b6
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

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