HRID1235377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1018

Picolinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID6367079

5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-2H-imidazole-2-thione

C14H15F2N3S

PRODUCTS

生成物

结构：O=C(NCc1c[nH]c(=S)n1C1CCc2c(F)cc(F)cc2C1)c1ccccn1

HCID19699432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c2807f881d48968679c29739a199e9
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

[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[NH2:1][CH2:2][c:3]1[cH:4][nH:5][c:6](=[S:20])[n:7]1[CH:8]1[CH2:9][c:10]2[cH:11][c:12]([F:19])[cH:13][c:14]([F:18])[c:15]2[CH2:16][CH2:17]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][n:29]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][P+:39]([N:40]2[CH2:41][CH2:42][CH2:43][CH2:44]2)([N:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[N:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH2:2][c:3]1[cH:4][nH:5][c:6](=[S:20])[n:7]1[CH:8]1[CH2:9][c:10]2[cH:11][c:12]([F:19])[cH:13][c:14]([F:18])[c:15]2[CH2:16][CH2:17]1)[C:22](=[O:21])[c:24]1[cH:25][cH:26][cH:27][cH:28][n:29]1