HRID152601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：COc1ccc2c(C(=O)O)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

HCID59398145

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)NCCO)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

HCID59398197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bff6b98441ef445fa6ddcd7273ee36ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:32])[cH:19][c:20]([C:29](=[O:30])[OH:31])[c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]23)[CH2:13][CH2:14]1)[CH2:33][c:34]1[cH:35][c:36]2[c:37]([cH:42][cH:43]1)[O:38][CH2:39][CH2:40][O:41]2.[C:44]([Cl:45])(=[O:46])[O:47][CH2:48][CH3:49].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[CH:54]([O:55][CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[NH2:50][CH2:51][CH2:52][OH:53].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[OH2:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:32])[cH:19][c:20]([C:29](=[O:30])[NH:50][CH2:51][CH2:52][OH:53])[c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]23)[CH2:13][CH2:14]1)[CH2:33][c:34]1[cH:35][c:36]2[c:37]([cH:42][cH:43]1)[O:38][CH2:39][CH2:40][O:41]2