Dichloromethane → 2-[[4-[3-[1-(1,3-Benzothiazol-6-yl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]-3,3-dimethylbutanoic acid

HRID 1539997

Reaction equation

HRID 1539997 reaction equation
[CH2:50]([Cl:51])[Cl:52].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49].[s:1]1[cH:2][n:3][c:4]2[c:5]1[cH:6][c:7]([C:10]1([c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]3)[cH:20][n:21]4)[CH2:11][CH2:12]1)[cH:8][cH:9]2>>[s:1]1[cH:2][n:3][c:4]2[c:5]1[cH:6][c:7]([C:10]1([c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]([C:30](=[O:31])[OH:32])[C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]3)[cH:20][n:21]4)[CH2:11][CH2:12]1)[cH:8][cH:9]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178451282HCID 178451282, compound

Product 1

HCID 771714572-[[4-[3-[1-(1,3-Benzothiazol-6-yl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]-3,3-dimethylbutanoic acid

Sources & evidence

ORD record
ord-b0f799bdcd5840018188c8fcccbf7305
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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