HRID827610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)CCC(=O)O)CC1c1cccc(F)c1)C(=O)OC(C)(C)C

HCID178435698

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)CCC(=O)N2CCC(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)cc1

HCID178498176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5deafd51264f40138262be42266d2110
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:35]2[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])=[O:34])[CH2:26][CH2:27]1.[C:63](=[O:64])([O-:65])[OH:66].[NH2:42][c:43]1[cH:44][cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][cH:52]1.[Na+:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:35]2[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[NH:42][c:43]2[cH:44][cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][cH:52]2)=[O:34])[CH2:26][CH2:27]1