HRID86032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CNc1cccc(S(=O)(=O)N(CC(O)C(Cc2ccccc2)NC(=O)OC2COC3OCCC23)CC(C)(C)CCCN)c1

HCID22996428

未命名化合物

PRODUCTS

生成物

结构：CNc1cccc(S(=O)(=O)N(CC(O)C(Cc2ccccc2)NC(=O)OC2COC3OCCC23)CC(C)(C)CCCNC(=O)N(C)C)c1

HCID178482181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205ff2ffaa944de6bb0480dd341743bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:53][N:54]([C:55](=[O:56])[Cl:57])[CH3:58].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:1][CH2:2][CH2:3][CH2:4][C:5]([CH2:6][N:7]([CH2:8][CH:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[NH:18][C:19]([O:20][CH:21]1[CH2:22][O:23][CH:24]2[O:25][CH2:26][CH2:27][CH:28]12)=[O:29])[OH:30])[S:31](=[O:32])(=[O:33])[c:34]1[cH:35][c:36]([NH:40][CH3:41])[cH:37][cH:38][cH:39]1)([CH3:42])[CH3:43]>>[NH:1]([CH2:2][CH2:3][CH2:4][C:5]([CH2:6][N:7]([CH2:8][CH:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[NH:18][C:19]([O:20][CH:21]1[CH2:22][O:23][CH:24]2[O:25][CH2:26][CH2:27][CH:28]12)=[O:29])[OH:30])[S:31](=[O:32])(=[O:33])[c:34]1[cH:35][c:36]([NH:40][CH3:41])[cH:37][cH:38][cH:39]1)([CH3:42])[CH3:43])[C:55]([N:54]([CH3:53])[CH3:58])=[O:56]