HCID 67263637, compound → 3-[5-Chloro-4-(2-fluoro-6-prop-2-ynylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid 1-methyl-piperidin-3-yl ester

HRID 98708Notes

Reaction equation

HRID 98708 reaction equation
[CH3:1][N:2]1[CH2:3][CH:4]([O:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH2:14][O:15][c:16]3[c:17]2[cH:18][cH:19][c:20]([NH2:22])[cH:21]3)[CH2:5][CH2:6][CH2:7]1.[Cl:23][c:24]1[n:25][cH:26][c:27]([Cl:44])[c:28]([NH:30][c:31]2[c:32]([C:33](=[O:34])[NH:35][CH2:36][C:37]#[CH:38])[cH:39][cH:40][cH:41][c:42]2[F:43])[n:29]1>>[CH3:1][N:2]1[CH2:3][CH:4]([O:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH2:14][O:15][c:16]3[c:17]2[cH:18][cH:19][c:20]([NH:22][c:24]2[n:25][cH:26][c:27]([Cl:44])[c:28]([NH:30][c:31]4[c:32]([C:33](=[O:34])[NH:35][CH2:36][C:37]#[CH:38])[cH:39][cH:40][cH:41][c:42]4[F:43])[n:29]2)[cH:21]3)[CH2:5][CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 67263637HCID 67263637, compoundHCID 866339022-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-N-prop-2-ynyl-benzamide

Product 1

HCID 866340433-[5-Chloro-4-(2-fluoro-6-prop-2-ynylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid 1-methyl-piperidin-3-yl ester

Sources & evidence

ORD record
ord-eb28128bd4684f0cbdd96bcac22b4671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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