Hydrochloric Acid → 13-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-5-[4-(dimethylamino)but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile

HRID 171900Notes

Reaction equation

HRID 171900 reaction equation
[CH3:33][N:34]([CH2:35][CH:36]=[CH:37][C:38](=[O:39])[OH:40])[CH3:41].[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][c:22]2[C:23]#[N:24])[s:25][c:26]2[c:31]3[CH2:30][CH2:29][NH:28][CH2:27]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1.[ClH:32]>>[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][c:22]2[C:23]#[N:24])[s:25][c:26]2[c:31]3[CH2:30][CH2:29][N:28]([C:38]([CH:37]=[CH:36][CH2:35][N:34]([CH3:33])[CH3:41])=[O:39])[CH2:27]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 581168904-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine-3-carbonitrile

Product 1

HCID 6685038613-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-5-[4-(dimethylamino)but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile

Sources & evidence

ORD record
ord-146fc4dbde5f492887e19ac16bc5d039
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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