HRID139902

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-

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)O

HCID67438198

5-[(tert-Butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

C15H14F2N2O4S

HCID86680057

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3NC(=O)OC(C)(C)C)cnn2C)CCN1C(=O)OC(C)(C)C

HCID86680059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13991c1360864b7c98fc8afd14448967
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:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][c:30]1[c:31]([C:43](=[O:44])[OH:45])[n:32][c:33](-[c:35]2[c:36]([F:42])[cH:37][cH:38][cH:39][c:40]2[F:41])[s:34]1.[NH2:1][c:2]1[cH:3][n:4][n:5]([CH3:21])[c:6]1[N:7]1[CH2:8][CH:9]([CH3:20])[N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:70].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[NH:1]([c:2]1[cH:3][n:4][n:5]([CH3:21])[c:6]1[N:7]1[CH2:8][CH:9]([CH3:20])[N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)[C:43]([c:31]1[c:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[s:34][c:33](-[c:35]2[c:36]([F:42])[cH:37][cH:38][cH:39][c:40]2[F:41])[n:32]1)=[O:44]