HRID1127351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID147633

Benzenamine, 4-(4-fluorophenoxy)-

C12H10FNO

结构：O=C(NCCN1CCCC1)C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1

HCID72441069

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)NC(Cc1ccccc1)C(=O)NCCN1CCCC1

HCID18450172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3494f60a6338403fb8b009589f51c477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:52](=[O:53])([n:54]1[cH:55][cH:56][n:57][cH:58]1)[n:59]1[cH:60][cH:61][n:62][cH:63]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:11][C:14](=[S:12])[NH:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:13][cH:34]2)[cH:35][cH:36]1.[F:37][c:38]1[cH:39][cH:40][c:41]([O:42][c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[cH:50][cH:51]1.[OH2:75]>>[C:14]([NH:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([NH:49][c:46]1[cH:45][cH:44][c:43]([O:42][c:41]2[cH:40][cH:39][c:38]([F:37])[cH:51][cH:50]2)[cH:48][cH:47]1)=[O:53]