HRID147397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6564

1,2-Dichloropropane

C3H6Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID2777319

4-(Trifluoromethoxy)phenylacetic acid

C9H7F3O3

结构：CC(C)(C)C1CCC(NCc2ccc(C(=O)NCC(O)C(=O)O)cc2)CC1

HCID22311146

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(O)C(=O)O)cc2)C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1

HCID22311046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b193f53be2e42baa242dbdb1e1139d9
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

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