HRID1121118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24841

Hydrogen iodide

HCID22566154

未命名化合物

HCID140444318

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCOc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

HCID178453722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c3673f0520047bcb44482823bd4f51b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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