HRID163409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID13480221

2-Methoxyethane-1-sulfonyl chloride

C3H7ClO3S

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CN)nc32)C(O)C1O

HCID18348423

未命名化合物

PRODUCTS

生成物

结构：COCCS(=O)(=O)NCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(COC)C(O)C3O)c2n1

HCID18348471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b62e978ba6aa4a2b8d98bf5a70adf0eb
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

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