HRID293712

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

HCID8471

Triethylamine

C6H15N

HCID2736299

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C6H7ClN2O

结构：Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505483

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2ccc(C)c(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1

HCID57505488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-077a8ff8f9e14aba8b67d17d77cfca2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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