HRID155052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID2760995

N,N-Dimethyloxamic acid

C4H7NO3

结构：CC(C)(C)OC(=O)Nc1ncc(-c2nc(N3CCOCC3)c3nc(N4CCNCC4)n(CC(F)(F)F)c3n2)cn1

HCID59333500

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)C(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(NC(=O)OC(C)(C)C)nc4)nc3n2CC(F)(F)F)CC1

HCID59333553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-996c3b18b8e14677bf0f111b5aaf5684
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:61]([N:62]=[C:63]=[N:64][CH2:65][CH2:66][CH2:67][N:68]([CH3:69])[CH3:70])[CH3:71].[CH3:1][N:2]([C:3]([C:4](=[O:5])[OH:6])=[O:7])[CH3:8].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[ClH:60].[O:20]1[CH2:21][CH2:22][N:23]([c:26]2[c:27]3[n:28][c:29]([N:54]4[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]4)[n:30]([CH2:49][C:50]([F:51])([F:52])[F:53])[c:31]3[n:32][c:33](-[c:35]3[cH:36][n:37][c:38]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[n:39][cH:40]3)[n:34]2)[CH2:24][CH2:25]1.[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[OH2:9].[OH:10][c:11]1[c:12]2[n:13][n:14][nH:15][c:16]2[cH:17][cH:18][cH:19]1>>[CH3:1][N:2]([C:3]([C:4](=[O:5])[N:57]1[CH2:56][CH2:55][N:54]([c:29]2[n:28][c:27]3[c:26]([N:23]4[CH2:22][CH2:21][O:20][CH2:25][CH2:24]4)[n:34][c:33](-[c:35]4[cH:36][n:37][c:38]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[n:39][cH:40]4)[n:32][c:31]3[n:30]2[CH2:49][C:50]([F:51])([F:52])[F:53])[CH2:59][CH2:58]1)=[O:7])[CH3:8]