HRID1125189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID971

Oxalic acid

C2H2O4

HCID6342

Acetonitrile

C2H3N

HCID6356

Boron trifluoride

BF3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

2 次

HCID22100568

tert-Butyl [1-(pyrrolidin-3-yl)cyclopropyl]carbamate

C12H22N2O2

结构：COc1c(F)ccc2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID23507775

未命名化合物

PRODUCTS

生成物

结构：COc1c(N2CCC(C3(NC(=O)OC(C)(C)C)CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID11477583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbde6741d0884c76adb205ee77b4c6fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B:35]([F:36])([F:37])[F:38].[C:39]([OH:40])(=[O:41])[C:42]([OH:43])=[O:44].[CH2:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[CH3:29].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][C:69]#[N:70].[ClH:22].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:21])[c:7]([C:18](=[O:19])[OH:20])[cH:8][n:9]([CH:14]3[CH:15]([F:17])[CH2:16]3)[c:10]2[c:11]1[O:12][CH3:13].[NH:45]1[CH2:46][CH:47]([C:50]2([NH:53][C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[CH2:51][CH2:52]2)[CH2:48][CH2:49]1.[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1>>[c:2]1([N:45]2[CH2:46][CH:47]([C:50]3([NH:53][C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[CH2:51][CH2:52]3)[CH2:48][CH2:49]2)[cH:3][cH:4][c:5]2[c:6](=[O:21])[c:7]([C:18](=[O:19])[OH:20])[cH:8][n:9]([CH:14]3[CH:15]([F:17])[CH2:16]3)[c:10]2[c:11]1[O:12][CH3:13]