HRID95401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1)C(=O)OCC

HCID20765316

未命名化合物

HCID58719488

tert-Butyl 2-(hept-6-en-1-yl)hydrazine-1-carboxylate

C12H24N2O2

PRODUCTS

生成物

结构：C=CCCCCCN(NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1C=C

HCID68578616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8326c6a8ec9246a283e563a3ef7aead0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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