HRID142825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID68509

Benzenemethanamine, alpha,alpha-dimethyl-

C9H13N

HCID4641409

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

C10H15N6O+

HCID25126134

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2ncc(C(=O)NC(C)(C)c3ccccc3)s2)cn1

HCID59208455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c1d849cfed5420da3571dd8df2be54a
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

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