HRID1202712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID203500

3-Amino-3-phenylpropan-1-ol

C9H13NO

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

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

HCID57750394

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC1(C(=O)NC(CCO)c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID66673789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f55ee66c62694ae29d6b43e76abe52c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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