Water → 1-Benzyl-3-(tritylamino)-2-azepanone

HRID 1225349

반응식

HRID 1225349 반응식
[Br:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:28])[NH:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[C:37]([OH:38])([CH3:39])([CH3:40])[CH3:41].[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[I-:48].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:28])[N:23]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:24][CH2:25][CH2:26][CH2:27]1

참가 물질

8

출처 및 근거

ORD 기록
ord-b0e8f47e826b4386b5a33b307d300a68
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

불러오는 중…