HRID951454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID9822

5-Methylpyrazole-3-carboxylic acid

C5H6N2O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncc2nc(N)sc2n1

HCID86646090

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2nc3cnc(Nc4cc(NC(=O)c5cccc(C(C)(C)C#N)c5)ccc4C)nc3s2)n[nH]1

HCID59506928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fbdc406afff4bc48e82e9fecbe5b362
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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