HRID826562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(O)C1

HCID22736235

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

HCID22736434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa68f180bc6b4b5fb65661ac6d1e59eb
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:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][CH2:38][C:39](=[O:40])[OH:41].[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[ClH:42].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][CH:26]([OH:29])[CH2:27][CH2:28]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1.[OH2:54]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][CH:26]([O:29][C:39]([CH2:38][NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])=[O:40])[CH2:27][CH2:28]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1