1,4,7,10-Tetraazacyclododecane → alpha-Ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid

HRID 1240292

반응식

HRID 1240292 반응식
[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][NH:12]1.[Cl:13][CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[NH:25][c:26]1[c:27]([I:41])[c:28]([CH2:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][CH3:40])[c:29]([I:33])[cH:30][c:31]1[I:32]>>[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][N:12]1[CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[NH:25][c:26]1[c:27]([I:41])[c:28]([CH2:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][CH3:40])[c:29]([I:33])[cH:30][c:31]1[I:32]

참가 물질

3

반응물 2

HCID 649631,4,7,10-TetraazacyclododecaneHCID 229214013-[[6-[(Chloroacetyl)amino]-1-oxohexyl]amino]-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid

생성물 1

HCID 22921393alpha-Ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid

출처 및 근거

ORD 기록
ord-4281bba55b794d5bbec996b0018f97da
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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