HRID691784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID24841

Hydrogen iodide

结构：CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

HCID294897

未命名化合物

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)OCc1ccccc1

HCID21542931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b173da0601e495fbbdc09dc81820b2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1)[C:25](=[O:26])[OH:27].[CH2:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][C:53]([CH2:54][NH2:55])=[O:56].[CH3:63][OH:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Cl:28][C:29]([O:30][CH2:31][CH3:32])=[O:33].[I:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH:34][S:35]([c:36]1[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]1)(=[O:43])=[O:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1)[C:25](=[O:26])[NH:55][CH2:54][C:53]([O:52][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:56]