HRID164533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID310620

Ethyl 2-(bromomethyl)acrylate

C6H9BrO2

结构：CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1

HCID178455603

未命名化合物

PRODUCTS

生成物

结构：C=C(Cn1cnc(CC(NC(=O)C(Cc2ccccc2)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC2CCCCC2)C(O)C(O)C2CC2)c1)C(=O)OCC

HCID178456439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a234d582f9f2488bbfea7af36cd53e64
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

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