HRID174269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID15719

3-Methoxyphenylacetic acid

C9H10O3

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID66823569

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CC(=O)N2CCc3cc(-c4csc5ccnc(N)c45)ccc32)c1

HCID53467173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c95e23763184ca6b1fe922e6c81b338
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

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