HRID198525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID79001

未命名化合物

结构：O=Cc1c(COc2ccc3ccccc3c2)n(CCCC(=O)O)c2ccc(NC(=O)C3CCCC3)cc12

HCID9913828

未命名化合物

PRODUCTS

生成物

结构：O=Cc1c(COc2ccc3ccccc3c2)n(CCCC(=O)NS(=O)(=O)C(F)(F)F)c2ccc(NC(=O)C3CCCC3)cc12

HCID9917234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ad08e1b175c408b8839bd1b683fc708
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

[C:63]([O:64][CH2:65][CH3:66])(=[O:67])[CH3:68].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]1([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]3[c:12]([CH:36]=[O:37])[c:13]([CH2:24][O:25][c:26]4[cH:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]5[cH:34][cH:35]4)[n:14]([CH2:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23])[c:15]3[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[F:49][C:50]([S:51](=[O:52])(=[O:53])[NH2:54])([F:55])[F:56].[OH2:62]>>[CH:1]1([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]3[c:12]([CH:36]=[O:37])[c:13]([CH2:24][O:25][c:26]4[cH:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]5[cH:34][cH:35]4)[n:14]([CH2:18][CH2:19][CH2:20][C:21](=[O:22])[NH:54][S:51]([C:50]([F:49])([F:55])[F:56])(=[O:52])=[O:53])[c:15]3[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1