HRID201120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21072520

未命名化合物

HCID21072528

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)NC1C(=O)N(CC2CC2)c2ccccc2-c2ccccc21)NCC(F)(F)C(F)(F)F

HCID11386392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cd2d8785be74689b4a9fdbffb4d4eff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[NH2:1][CH:2]1[c:3]2[c:4]([cH:18][cH:19][cH:20][cH:21]2)-[c:5]2[c:6]([cH:14][cH:15][cH:16][cH:17]2)[N:7]([CH2:10][CH:11]2[CH2:12][CH2:13]2)[C:8]1=[O:9].[O:22]=[C:23]([CH2:24][C:25](=[O:26])[OH:27])[NH:28][CH2:29][C:30]([C:31]([F:32])([F:33])[F:34])([F:35])[F:36].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[NH:1]([CH:2]1[c:3]2[c:4]([cH:18][cH:19][cH:20][cH:21]2)-[c:5]2[c:6]([cH:14][cH:15][cH:16][cH:17]2)[N:7]([CH2:10][CH:11]2[CH2:12][CH2:13]2)[C:8]1=[O:9])[C:25]([CH2:24][C:23](=[O:22])[NH:28][CH2:29][C:30]([C:31]([F:32])([F:33])[F:34])([F:35])[F:36])=[O:26]