HRID1232529

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

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

结构：O=C(O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)c3s2)cc1

HCID67345297

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C(=O)N5CCC(O)C5)cc4)sc23)c(F)c1)c1ccnn(-c2ccc(F)cc2)c1=O

HCID67347248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b9f42cc41ac4f8aace5da546c90b0bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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