HRID149286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID10219638

di-tert-butylcarbonate

C9H18O3

结构：Cc1c(N2CCNCC2)nn2c(I)c(-c3ccc(F)cc3)nc2c1C

HCID59406963

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nn2c(I)c(-c3ccc(F)cc3)nc2c1C

HCID59406959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6469d954db784c03a66ec1b6b60fe107
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:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])([O:41][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:42].[CH3:26][N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][n:33]1)[CH3:34].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:18]4[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[c:14]([CH3:17])[c:15]3[CH3:16])[c:24]2[I:25])[cH:6][cH:7]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:18]4[CH2:19][CH2:20][N:21]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:22][CH2:23]4)[c:14]([CH3:17])[c:15]3[CH3:16])[c:24]2[I:25])[cH:6][cH:7]1