N-Benzylnormechlorethamine → 1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-piperidine-4-carboxylic acid ethyl ester

반응식

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[cH:13][cH:14]1)=[O:23].[Cl:24][CH2:25][CH2:26][N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][CH2:36][Cl:37]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][cH:11][c:12]([O:15][c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[cH:13][cH:14]2)[CH2:25][CH2:26][N:27]([CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:35][CH2:36]1)=[O:23]

참가 물질

반응물 2

HCID 5928N-Benzylnormechlorethamine

HCID 11121795[4-(4-Chloro-phenoxy)-benzenesulfonyl]-acetic acid ethyl ester

생성물 1

HCID 109732881-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-piperidine-4-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-c5d0597f22284175b7a2a3fd5d87aa7c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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