HRID143109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID5460263

未命名化合物

结构：CC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1

HCID22507638

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(CCCCNc2nc(NCCCCCC(=O)O)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1

HCID67849678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ac69eacfd2f4b9899ee811ce506f645
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

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