HRID194054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3559319

N-Boc-2-Cyclohexyl-DL-glycine

C13H23NO4

HCID4641409

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

C10H15N6O+

结构：C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OC

HCID68615943

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC

HCID68617266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cab0a89d68b44649b5ff63e98f5931d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[O:35][CH3:36])[CH:29]([CH:31]=[CH2:32])[CH2:30]2)=[O:37])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[C:46]([CH3:47])([CH3:48])([CH3:49])[O:50][C:51](=[O:52])[NH:53][CH:54]([C:55](=[O:56])[OH:57])[CH:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[CH2:97]1[O:98][CH2:99][CH2:100][CH2:101]1.[CH3:102][CH2:103][O:104][C:105]([CH3:106])=[O:107].[CH:88]([N:89]([CH2:90][CH3:91])[CH:92]([CH3:93])[CH3:94])([CH3:95])[CH3:96].[ClH:38].[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[P-:64]([F:65])([F:66])([F:67])([F:68])([F:69])[F:70].[n:71]1([O:72][C:73]([N:74]([CH3:75])[CH3:76])=[N+:77]([CH3:78])[CH3:79])[c:80]2[n:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[N:8]1([C:55]([CH:54]([NH:53][C:51]([O:50][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:52])[CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)=[O:56])[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[O:35][CH3:36])[CH:29]([CH:31]=[CH2:32])[CH2:30]2)=[O:37])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1