Dichloromethane → 4-fluoro-N-{2-[3-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-ureido]-ethyl}-3-trifluoromethyl-benzamide

HRID 1127012Notes

Reaction equation

HRID 1127012 reaction equation
[C:1]([O:2][C:6]([NH:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]1[s:15][c:16]2[n:17][cH:18][n:19][c:20]([O:23][CH3:24])[c:21]2[n:22]1)=[O:25])([CH3:3])([CH3:4])[CH3:5].[CH2:67]([Cl:68])[Cl:69].[CH3:33][O:34][c:35]1[c:36]2[n:37][c:38]([NH:39][C:40]([N:41]3[CH2:42][CH2:43][CH:44]([NH2:45])[CH2:46]3)=[O:47])[s:48][c:49]2[n:50][cH:51][n:52]1.[F:53][c:54]1[c:55]([C:63]([F:64])([F:65])[F:66])[cH:56][c:57]([C:58]([Cl:59])=[O:60])[cH:61][cH:62]1.[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[C:6]([NH:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]1[s:15][c:16]2[n:17][cH:18][n:19][c:20]([O:23][CH3:24])[c:21]2[n:22]1)(=[O:25])[c:57]1[cH:56][c:55]([C:63]([F:64])([F:65])[F:66])[c:54]([F:53])[cH:62][cH:61]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 1442534-Fluoro-3-(trifluoromethyl)benzoyl ChlorideHCID 59011968{2-[3-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-ureido]-ethyl}-carbamic acid tert-butyl esterHCID 724893723-Amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

Product 1

HCID 248304504-fluoro-N-{2-[3-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-ureido]-ethyl}-3-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-d33e2d50588f40babb842a0b6fc8ef90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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