HRID673065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID3545497

未命名化合物

结构：O=C(O)C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID68874729

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)NCCS(=O)(=O)c1ccccc1

HCID68873118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c9e8efd31a440a82689e3917d26d11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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