HRID1542096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1

HCID930

未命名化合物

HCID1061

Phosphate

O4P-3

结构：CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O

HCID2174

6-[(2-Amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C16H19N3O4S

HCID8857

Ethyl acetate

C4H8O2

HCID15239356

未命名化合物

PRODUCTS

生成物

HCID66936442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b00f5a9cf9f4a5a8ff3828e9a652f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:25][c:26]1[c:27]([C:32]([C:33](=[O:34])[NH:35][CH3:36])=[O:37])[cH:28][cH:29][cH:30][cH:31]1.[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[CH:1]12[CH:2]([NH:3][C:4]([CH:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[NH2:12])=[O:13])[C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[OH:20])[C:21]([CH3:22])([CH3:23])[S:24]2.[NH2:38][C:39]([C:40]1=[CH:84][N:44]([CH:45]2[CH:46]([OH:47])[CH:48]([OH:49])[CH:50]([CH2:51][O:52][P:53]([O:54][P:55]([O:56][CH2:57][CH:58]3[CH:59]([OH:60])[CH:61]([O:62][P:63](=[O:64])([OH:65])[OH:66])[CH:67]([n:68]4[c:69]5[c:70]([c:71]([NH2:75])[n:72][cH:73][n:74]5)[n:76][cH:77]4)[O:78]3)(=[O:79])[OH:80])(=[O:81])[OH:82])[O:83]2)[CH:43]=[CH:42][CH2:41]1)=[O:85].[O-:86][P:87](=[O:88])([O-:89])[O-:90]>>[CH3:25][c:26]1[c:27]([CH:32]([C:33](=[O:34])[NH:35][CH3:36])[OH:37])[cH:28][cH:29][cH:30][cH:31]1