HRID1213654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1CNCCN1c1cc(-c2ccc(F)cc2)nc(N2CCCC2C)n1

HCID66838863

未命名化合物

HCID178497865

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(N2CCN(c3cc(-c4ccc(F)cc4)nc(N4CCCC4C)n3)C(C)C2)n1

HCID66838875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5c5dd3832fa4b82b0852bb3d9628245
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([OH:12])[c:8]([CH3:11])[cH:9][cH:10]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:61][CH:62]([Cl:63])[Cl:64].[F:13][C:14]([F:15])([F:16])[C:17]([O:18][C:19](=[O:20])[C:21]([F:22])([F:23])[F:24])=[O:25].[F:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[n:34][c:35]([N:46]3[CH:47]([CH3:51])[CH2:48][CH2:49][CH2:50]3)[n:36][c:37]([N:39]3[CH:40]([CH3:45])[CH2:41][NH:42][CH2:43][CH2:44]3)[cH:38]2)[cH:31][cH:32]1.[OH2:65]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([N:42]2[CH2:41][CH:40]([CH3:45])[N:39]([c:37]3[n:36][c:35]([N:46]4[CH:47]([CH3:51])[CH2:48][CH2:49][CH2:50]4)[n:34][c:33](-[c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)[cH:38]3)[CH2:44][CH2:43]2)[c:8]([CH3:11])[cH:9][cH:10]1