HRID149264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1

HCID69352963

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1

HCID69612740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ec5c8ffcdec4d33a5120f6d8a236237
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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