HRID286285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID12561

2-Isopropylaniline

C9H13N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCC(=O)O

HCID15381103

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCC(=O)Nc1ccccc1C(C)C

HCID9896468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-427423b478ee42eeb44a334404323276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:33][c:34]3[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]3)[c:17]([O:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32])[n:18][c:19]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1.[CH2:63]([Cl:64])[Cl:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:53]([CH3:54])([CH3:55])[c:56]1[c:57]([NH2:58])[cH:59][cH:60][cH:61][cH:62]1.[OH2:52].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:33][c:34]3[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]3)[c:17]([O:27][CH2:28][CH2:29][C:30](=[O:31])[NH:58][c:57]3[c:56]([CH:53]([CH3:54])[CH3:55])[cH:62][cH:61][cH:60][cH:59]3)[n:18][c:19]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1