HRID932385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID57832815

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ncc(N)c3ccccc23)CC1

HCID57832823

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)Nc2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1

HCID69052838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-183330529b984de5b603b876e0800a18
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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