HRID307273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID57750370

未命名化合物

结构：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750394

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

HCID66673745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b115597a2ff3434599645bdb1239bd51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][C:24]1([C:39](=[O:40])[OH:41])[CH2:25][CH2:26][N:27]([c:30]2[c:31]3[c:32]([n:33][cH:34][n:35]2)[nH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[NH2:15])[cH:6][cH:7]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[NH:15][C:39]([C:24]2([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:25][CH2:26][N:27]([c:30]3[c:31]4[c:32]([n:33][cH:34][n:35]3)[nH:36][cH:37][cH:38]4)[CH2:28][CH2:29]2)=[O:40])[cH:6][cH:7]1