HRID1549506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2734708

3,4-Difluorophenyl isocyanate

C7H3F2NO

结构：CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CNCCCN2CCOCC2)cn1

HCID67049993

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc(F)c(F)c2)cn1

HCID67050108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0afba16b304df1b797e61906489f62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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