Hydrochloric Acid → [2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone

HRID 2328424Notes

Reaction equation

HRID 2328424 reaction equation
[B-:25]([F:26])([F:27])([F:28])[F:29].[C:64](=[O:65])([OH:66])[O-:67].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[OH:23])[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:24].[Na+:68].[S:47]1(=[O:53])(=[O:54])[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:23])[N:50]4[CH2:49][CH2:48][S:47](=[O:53])(=[O:54])[CH2:52][CH2:51]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 6484228Thiomorpholine 1,1-dioxideHCID 685341205-(4-isopropyl-piperazine-1-carbonyl)-1H-indole-2-carboxylic acid

Product 1

HCID 68681206[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-dc520febb71c4882901f6137acc661e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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