HRID171466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12793177

未命名化合物

HCID22507584

1-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid

C10H18N2O4

2 次

结构：CC(Oc1cc(-n2cnc3cnc(COS(C)(=O)=O)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID86647104

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-n2cnc3cnc(CN4CCN(C)CC4CO)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID178466897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9524672bc37846c28ff90ec5275139e6
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:46]([O:47][C:48]([N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH:54]1[C:55]([OH:56])=[O:57])=[O:58])([CH3:59])([CH3:60])[CH3:61].[C:62]([O:63][C:64]([N:65]1[CH2:66][CH2:67][NH:68][CH2:69][CH:70]1[C:71]([OH:72])=[O:73])=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH3:1][S:2]([O:3][CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)(=[O:4])=[O:5].[CH3:37][N:38]1[CH2:39][CH:40]([CH2:44][OH:45])[NH:41][CH2:42][CH2:43]1.[CH3:82][CH2:83][N:84]([CH2:85][CH3:86])[CH2:87][CH3:88].[Cl:78][CH2:79][Cl:80].[OH2:81]>>[CH2:6]([c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)[N:41]1[CH:40]([CH2:44][OH:45])[CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]1