HRID101810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4641409

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

C10H15N6O+

HCID12327020

未命名化合物

HCID178524171

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2[nH]cnc2c1)N1CCCC2c3ccccc3CCC21

HCID178519346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b09e37f71c74184bdd39dd50ec4d208
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH2:68]1[CH2:69][CH2:70][NH:71][CH:72]2[CH2:73][CH2:74][c:75]3[c:76]([cH:78][cH:79][cH:80][cH:81]3)[CH:77]12.[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[CH3:88][OH:89].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[NH3:82].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1.[nH:47]1[cH:48][n:49][c:50]2[c:51]1[cH:52][cH:53][c:54]([C:56](=[O:57])[OH:58])[cH:55]2>>[nH:47]1[cH:48][n:49][c:50]2[c:51]1[cH:52][cH:53][c:54]([C:56](=[O:58])[N:71]1[CH2:70][CH2:69][CH2:68][CH:77]3[CH:72]1[CH2:73][CH2:74][c:75]1[c:76]3[cH:78][cH:79][cH:80][cH:81]1)[cH:55]2