HRID138620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)NCCC(O)C(=O)Nc1cnn(CCO)c1N

HCID178453539

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(O)C(=O)Nc1cnn(CCO)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178453540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac6a7a5c02334adaaa89f2a0aaf5cd52
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

[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[Cl:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[NH2:1][c:2]1[c:3]([NH:10][C:11]([CH:12]([CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[OH:23])=[O:24])[cH:4][n:5][n:6]1[CH2:7][CH2:8][OH:9].[OH2:52]>>[NH:1]([c:2]1[c:3]([NH:10][C:11]([CH:12]([CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[OH:23])=[O:24])[cH:4][n:5][n:6]1[CH2:7][CH2:8][OH:9])[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1