Sodium Ion → 1-(4-Amino-3-bromo-5-pyrrolidinomethyl-benzoyloxy)-2-{2-[(2,6-dichlorophenyl)-amino]-phenylacetoxy}-ethane

반응식

[Cl:21][c:22]1[c:23]([NH:29][c:30]2[c:31]([CH2:36][C:37](=[O:38])[O-:39])[cH:32][cH:33][cH:34][cH:35]2)[c:24]([Cl:28])[cH:25][cH:26][cH:27]1.[NH2:1][c:2]1[c:3]([Br:20])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][Cl:11])[cH:12][c:13]1[CH2:14][N:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1.[Na+:40]>>[NH2:1][c:2]1[c:3]([Br:20])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][O:39][C:37]([CH2:36][c:31]2[c:30]([NH:29][c:23]3[c:22]([Cl:21])[cH:27][cH:26][cH:25][c:24]3[Cl:28])[cH:35][cH:34][cH:33][cH:32]2)=[O:38])[cH:12][c:13]1[CH2:14][N:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 3032Arthrotec

HCID 205161952-(4-Amino-3-bromo-5-pyrrolidinomethyl-benzoyloxy)-ethylchloride

생성물 1

HCID 205164751-(4-Amino-3-bromo-5-pyrrolidinomethyl-benzoyloxy)-2-{2-[(2,6-dichlorophenyl)-amino]-phenylacetoxy}-ethane

출처 및 근거

ORD 기록: ord-6d99dc7861f74ed686cfaa125c8c2a9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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