HRID1559103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

HCID59469158

3,4-Difluoro-2-(2-fluoro-4-iodoanilino)benzoyl fluoride

C13H6F4INO

结构：CC(C)(C)OC(=O)N1CCCCC1C1(O)CN(C(=O)OCc2ccccc2)C1

HCID59469243

tert-Butyl 2-{1-[(benzyloxy)carbonyl]-3-hydroxyazetidin-3-yl}piperidine-1-carboxylate

C21H30N2O5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID72309764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-815ffdb52c784c5eabdd714d4a0c0643
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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