HRID934934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5126

2-Amino-1-propanol

C3H9NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(C(=O)O)c(F)c3)nc2)CC1

HCID67083327

未命名化合物

PRODUCTS

生成物

结构：CC(CO)NC(=O)c1ccc(OCc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F

HCID123921874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d30b2f562a53462584c1e02ab08a1e78
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](=[O:2])([OH:3])[c:4]1[c:5]([F:31])[cH:6][c:7]([O:8][CH2:9][c:10]2[n:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:14][cH:15]2)[cH:29][cH:30]1.[C:60](=[O:61])([O-:62])[OH:63].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[ClH:43].[NH2:55][CH:56]([CH2:57][OH:58])[CH3:59].[Na+:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[C:1](=[O:2])([c:4]1[c:5]([F:31])[cH:6][c:7]([O:8][CH2:9][c:10]2[n:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:14][cH:15]2)[cH:29][cH:30]1)[NH:55][CH:56]([CH2:57][OH:58])[CH3:59]