HRID293515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80079

2-(3-Chloropropyl)-2-methyl-1,3-dioxolane

C7H13ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12

HCID21978777

未命名化合物

PRODUCTS

生成物

结构：CC1(CCCN2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(Cc3c[nH]c4ccccc34)C2)OCCO1

HCID21978772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10b435a35cb4d2cbc8c205fd198f10e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]1[CH2:2][O:3][C:4]([CH3:5])([CH2:6][CH2:7][CH2:8][Cl:9])[O:10]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[F:11][C:12]([c:13]1[cH:14][c:15]([C:16](=[O:17])[N:18]2[CH:19]([CH2:24][c:25]3[cH:26][nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[CH2:20][NH:21][CH2:22][CH2:23]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[OH2:57]>>[CH2:1]1[CH2:2][O:3][C:4]([CH3:5])([CH2:6][CH2:7][CH2:8][N:21]2[CH2:20][CH:19]([CH2:24][c:25]3[cH:26][nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[N:18]([C:16]([c:15]3[cH:14][c:13]([C:12]([F:11])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]3)=[O:17])[CH2:23][CH2:22]2)[O:10]1