N-Cbz-4-(aminomethyl)benzamidine → HCID 178457975, 화합물

HRID 1218511

반응식

HRID 1218511 반응식
[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:24](=[O:25])[OH:26])[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45]([NH:46][C:47](=[NH:48])[c:49]1[cH:50][cH:51][c:52]([CH2:55][NH2:56])[cH:53][cH:54]1)=[O:57]>>[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:24](=[O:25])[NH:56][CH2:55][c:52]1[cH:51][cH:50][c:49]([C:47]([NH:46][C:45]([O:44][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)=[O:57])=[NH:48])[cH:54][cH:53]1)[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1

참가 물질

3

출처 및 근거

ORD 기록
ord-76226e2a0c4e47d8b2219ea4020f9884
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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