HRID1227045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID15908

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

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID438968

Morpholin-4-yl-acetic acid

C6H11NO3

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc3nc(N)cn3c2)c1

HCID57749390

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)CN4CCOCC4)cn3c2)c1

HCID57749375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf19f813fbf4ab987834c8747b52350
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:69](=[O:70])([O-:71])[OH:72].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:74][N:75]([CH3:76])[C:77](=[O:78])[CH3:79].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[ClH:38].[NH2:1][c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1.[Na+:73].[O:28]1[CH2:29][CH2:30][N:31]([CH2:34][C:35](=[O:36])[OH:37])[CH2:32][CH2:33]1.[n:50]1([OH:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([cH:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18](=[O:19])[c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[CH3:26])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:27]1)[C:35]([CH2:34][N:31]1[CH2:30][CH2:29][O:28][CH2:33][CH2:32]1)=[O:36]