HRID86130

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

HCID13648483

Phenyl cyclopropylcarbamate

C10H11NO2

结构：O=C(CC1(c2ccc(-c3ccc(-c4cnco4)cc3)s2)CCNCCS1(=O)=O)NOC1CCCCO1

HCID22276407

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1(c2ccc(-c3ccc(-c4cnco4)cc3)s2)CCN(C(=O)NC2CC2)CCS1(=O)=O)NOC1CCCCO1

HCID22276946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d29cdcf42ca48c8a39c98d6b9e75943
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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