HRID1116857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2ccc(NC(=O)NC3CC3)cc2)OC1(C)C

HCID44119149

N-Cyclopropyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

C16H23BN2O3

结构：CC(F)(F)CN1C(=O)C2(C)COCCN2c2nc(Cl)ncc21

HCID78165344

未命名化合物

PRODUCTS

生成物

结构：CC(F)(F)CN1C(=O)C2(C)COCCN2c2nc(-c3ccc(NC(=O)NC4CC4)cc3)ncc21

HCID58169815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-141c7cc15532464a84313a73e6179024
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

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