HRID142150

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

结构：CC1CN(c2c(N)cnn2CC(F)(F)F)CCN1C(=O)OC(C)(C)C

HCID86680104

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)cnn2CC(F)(F)F)CCN1C(=O)OC(C)(C)C

HCID86680105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d2a426e71d24756ac968ebcd59b9ef5
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:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([C:47](=[O:48])[OH:49])[n:36][c:37](-[c:39]2[c:40]([F:46])[cH:41][cH:42][cH:43][c:44]2[F:45])[s:38]1.[NH2:1][c:2]1[cH:3][n:4][n:5]([CH2:21][C:22]([F:23])([F:24])[F:25])[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:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:74].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:1]([c:2]1[cH:3][n:4][n:5]([CH2:21][C:22]([F:23])([F:24])[F:25])[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:47]([c:35]1[c:34]([NH:33][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[s:38][c:37](-[c:39]2[c:40]([F:46])[cH:41][cH:42][cH:43][c:44]2[F:45])[n:36]1)=[O:48]