HRID2135193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID752

Glyceric acid

C3H6O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

HCID66738863

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(C2CCN(C(=O)C(O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

HCID67494489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37b2eb54656740f5aef552788feeb697
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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