HRID213974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID241

Benzene

C6H6

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

反应SMILES：COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)O

HCID18442904

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(N)=O

HCID18442916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b54ce7c6f5924c5cad321a2464ff8f6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6](=[O:7])[OH:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][c:22]3[c:27]([cH:28][cH:29]2)[C:26]([CH3:30])([CH3:31])[CH2:25][CH2:24][C:23]3([CH3:32])[CH3:33])[cH:14][cH:15]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[NH3:38].[S:34]([Cl:35])([Cl:36])=[O:37].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6](=[O:7])[NH2:38])[CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][c:22]3[c:27]([cH:28][cH:29]2)[C:26]([CH3:30])([CH3:31])[CH2:25][CH2:24][C:23]3([CH3:32])[CH3:33])[cH:14][cH:15]1