HRID1115991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID596264

未命名化合物

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1

HCID57449759

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)c1ccccc1

HCID66620267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e89f5a5c7644c6f8d8b790a19b5f467
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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