HRID2314276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

结构：NC(Cc1ccccc1)C(=O)C1C2CC3CC(C2)CC1(N)C3

HCID23210700

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)C1C2CC3CC(C2)CC1(N)C3

HCID178453828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e618138cc3e94fd78d1bc4ce78254980
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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