HRID86608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID69867

Indole-3-carboxylic acid

C9H7NO2

HCID4641409

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

C10H15N6O+

HCID12501433

未命名化合物

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

HCID178519346

未命名化合物

PRODUCTS

生成物

结构：O=C(c1c[nH]c2ccccc12)N1CCCC2c3ccccc3CC21

HCID67223431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d600fdb95f043c18272b6601d9d63b0
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

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