HRID311805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID3028194

Lithium

HCID4641409

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

C10H15N6O+

HCID10240761

2-Cyclopropylethylamine

C5H11N

结构：O=C(O)c1cnc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)s1

HCID59360913

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCC1CC1)c1cnc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)s1

HCID25105789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b011e2a16c284360998ed8e8ca97d344
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

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