HRID213856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59456918

[(5-Fluoro-3-methylbenzo[b]thiophen-2-yl)methyl]methylamine

C11H12FNS

HCID66967099

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)OCC(=O)N3)sc2ccc(F)cc12

HCID66967198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ae4657f4b34c44a13adbc0f3602c5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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