HRID1205476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11030308

phenyl sulfamate

C6H7NO3S

HCID14435658

1-(Propan-2-yl)cyclopropan-1-ol

C6H12O

HCID57785237

未命名化合物

结构：C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)O

HCID68795562

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)OC1(C(C)C)CC1

HCID76605048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0cc341e5a2640f6a82e2cd46a7fd420
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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