HRID166882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10040

Thiophosgene

CCl2S

HCID16658

N-Aminopiperidine

C5H12N2

HCID21890439

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NN4CCCCC4)c(C)c3C)c2cc1OC

HCID21890035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4a9fb429dd84c5d8fded5339a0e973a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:24])[c:18]([CH3:23])[c:19]([NH2:20])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:32][C:33]([Cl:34])=[S:35].[NH2:36][N:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:24])[c:18]([CH3:23])[c:19]([NH:20][C:33](=[S:35])[NH:36][N:37]4[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]4)[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]