4-(Chloromethyl)benzoic acid → 4-Chloromethyl-N-(7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-benzamide

HRID 157651

반응식

HRID 157651 반응식
[Cl:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH2:17])[s:15][c:16]23)[CH2:7]1.[O:31]1[CH2:32][CH:33]([c:34]2[c:35]3[s:36][c:37]([NH:38][C:39]([c:40]4[s:41][c:42]([CH3:43])[cH:44][cH:45]4)=[O:46])[n:47][c:48]3[c:49]([O:50][CH3:51])[cH:52][cH:53]2)[CH2:54][O:55][CH2:56][CH2:57]1>>[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH:17][C:26]([c:25]4[cH:24][cH:23][c:22]([CH2:21][Cl:20])[cH:30][cH:29]4)=[O:27])[s:15][c:16]23)[CH2:7]1

참가 물질

4

반응물 3

HCID 742344-(Chloromethyl)benzoic acidHCID 113731005-Methyl-thiophene-2-carboxylic acid (7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-amideHCID 597118057-[1,4]Dioxepan-6-yl-4-methoxy-benzothiazol-2-ylamine

생성물 1

HCID 117508444-Chloromethyl-N-(7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-benzamide

출처 및 근거

ORD 기록
ord-fba22c375f314e8f8499ba4d1e39d2b8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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