HRID2147669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID94429

Triphosgene

C3Cl6O3

HCID67154120

1-[(4-Methoxyphenyl)methyl]-N-methyl-1H-tetrazol-5-amine

C10H13N5O

结构：CCOC(=O)C(C)NC(Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O

HCID76739770

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)NC(Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)N(C)c1nnnn1Cc1ccc(OC)cc1

HCID178471994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca32e1738c86403c93c250b89b2329bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][O:47][c:48]1[cH:49][cH:50][c:51]([CH2:52][n:53]2[n:54][n:55][n:56][c:57]2[NH:58][CH3:59])[cH:60][cH:61]1.[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[NH:19][CH:20]([CH3:21])[C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:12][cH:13]2)[cH:5][cH:6][cH:7]1.[Cl:27][C:28]([Cl:29])([O:30][C:31](=[O:32])[O:33][C:34]([Cl:35])([Cl:36])[Cl:37])[Cl:38].[Cl:62][CH2:63][Cl:64].[Na+:69].[O-:65][C:66]([OH:67])=[O:68]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:18])[N:58]([c:57]3[n:53]([CH2:52][c:51]4[cH:50][cH:49][c:48]([O:47][CH3:46])[cH:61][cH:60]4)[n:54][n:55][n:56]3)[CH3:59])[NH:19][CH:20]([CH3:21])[C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:12][cH:13]2)[cH:5][cH:6][cH:7]1