HRID146474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc4nc(SCc5cncn5CCC)n(C)c4c2)CCN3CC(C)C)cc1

HCID69522126

未命名化合物

PRODUCTS

生成物

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc4nc(S(=O)Cc5cncn5CCC)n(C)c4c2)CCN3CC(C)C)cc1

HCID69522072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd9ef17bfe341adbd29350151e9114a
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

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