HRID2326029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc4cccc(N)c4c3)cc21

HCID9832711

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc2ccc(Oc3ccc4nc(COc5ccc(CC6SC(=O)NC6=O)cc5)n(C)c4c3)cc12

HCID10146933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-661f2614912547a1bf199f178a1e84bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH:39]([CH3:40])([CH3:41])[c:42]1[c:43]([N:51]=[C:52]=[O:53])[c:44]([CH:48]([CH3:49])[CH3:50])[cH:45][cH:46][cH:47]1.[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]5[cH:24][cH:25][c:26]([CH2:27][CH:28]6[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]6)[cH:35][cH:36]5)[n:20]4)[cH:38]3)[cH:10][c:11]12>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]5[cH:24][cH:25][c:26]([CH2:27][CH:28]6[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]6)[cH:35][cH:36]5)[n:20]4)[cH:38]3)[cH:10][c:11]12)[C:52]([NH:51][c:43]1[c:42]([CH:39]([CH3:40])[CH3:41])[cH:47][cH:46][cH:45][c:44]1[CH:48]([CH3:49])[CH3:50])=[O:53]